SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv4_dominio3_RNAco-94604a9a/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: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -612.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300034 (E_RNA)
where:
Base-Base interactions energy: -405.473
where: short stacking energy: -164.069
Base-Backbone interact. energy: -1.781
local terms energy: -205.046029
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -46.715
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -43.743
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -823.799890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.799890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.799890 (E_RNA)
where:
Base-Base interactions energy: -567.626
where: short stacking energy: -254.818
Base-Backbone interact. energy: -0.944
local terms energy: -255.229800
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -39.543
tors. eta vs tors. theta energy: -62.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -798.442274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.442274 (E_RNA)
where:
Base-Base interactions energy: -526.075
where: short stacking energy: -240.214
Base-Backbone interact. energy: -0.892
local terms energy: -271.475204
where:
bonds (distance) C4'-P energy: -57.423
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -61.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -776.905947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.905947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.905947 (E_RNA)
where:
Base-Base interactions energy: -524.949
where: short stacking energy: -235.167
Base-Backbone interact. energy: -1.144
local terms energy: -250.813045
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -59.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -748.800177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.800177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.800177 (E_RNA)
where:
Base-Base interactions energy: -504.728
where: short stacking energy: -221.903
Base-Backbone interact. energy: 0.298
local terms energy: -244.370660
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -53.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -727.936465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.936465 (E_RNA)
where:
Base-Base interactions energy: -482.893
where: short stacking energy: -209.690
Base-Backbone interact. energy: -1.586
local terms energy: -243.457882
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -54.948
flat angles C4'-P-C4' energy: -57.828
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -688.034416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.034416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.034416 (E_RNA)
where:
Base-Base interactions energy: -450.409
where: short stacking energy: -193.678
Base-Backbone interact. energy: 0.041
local terms energy: -237.665966
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -56.514
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -673.346195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.346195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.346195 (E_RNA)
where:
Base-Base interactions energy: -457.617
where: short stacking energy: -183.071
Base-Backbone interact. energy: -1.195
local terms energy: -214.534186
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -44.745
flat angles C4'-P-C4' energy: -49.427
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -41.271
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -632.750946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.750946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.750946 (E_RNA)
where:
Base-Base interactions energy: -422.955
where: short stacking energy: -165.929
Base-Backbone interact. energy: -2.197
local terms energy: -207.599132
where:
bonds (distance) C4'-P energy: -43.996
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -639.549758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.549758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.549758 (E_RNA)
where:
Base-Base interactions energy: -441.335
where: short stacking energy: -181.885
Base-Backbone interact. energy: -2.119
local terms energy: -196.095152
where:
bonds (distance) C4'-P energy: -40.792
bonds (distance) P-C4' energy: -41.616
flat angles C4'-P-C4' energy: -44.872
flat angles P-C4'-P energy: -32.265
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -634.897864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.897864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.897864 (E_RNA)
where:
Base-Base interactions energy: -407.439
where: short stacking energy: -170.227
Base-Backbone interact. energy: -1.867
local terms energy: -225.591486
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -51.690
flat angles C4'-P-C4' energy: -40.798
flat angles P-C4'-P energy: -32.526
tors. eta vs tors. theta energy: -40.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -838.500175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.500175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.500175 (E_RNA)
where:
Base-Base interactions energy: -573.483
where: short stacking energy: -253.263
Base-Backbone interact. energy: 0.378
local terms energy: -265.394276
where:
bonds (distance) C4'-P energy: -60.961
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -66.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -801.593904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.593904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.593904 (E_RNA)
where:
Base-Base interactions energy: -550.143
where: short stacking energy: -229.413
Base-Backbone interact. energy: -0.520
local terms energy: -250.931530
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -793.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.348894 (E_RNA)
where:
Base-Base interactions energy: -552.052
where: short stacking energy: -244.612
Base-Backbone interact. energy: 0.287
local terms energy: -241.583728
where:
bonds (distance) C4'-P energy: -50.514
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -54.350
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -63.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -799.957496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.957496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.957496 (E_RNA)
where:
Base-Base interactions energy: -558.635
where: short stacking energy: -245.380
Base-Backbone interact. energy: 1.674
local terms energy: -242.996689
where:
bonds (distance) C4'-P energy: -48.258
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -61.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -697.606543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.606543 (E_RNA)
where:
Base-Base interactions energy: -462.174
where: short stacking energy: -207.663
Base-Backbone interact. energy: 3.665
local terms energy: -239.097643
where:
bonds (distance) C4'-P energy: -53.113
bonds (distance) P-C4' energy: -56.465
flat angles C4'-P-C4' energy: -52.315
flat angles P-C4'-P energy: -32.059
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -684.877416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.877416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.877416 (E_RNA)
where:
Base-Base interactions energy: -459.547
where: short stacking energy: -206.228
Base-Backbone interact. energy: -0.028
local terms energy: -225.302906
where:
bonds (distance) C4'-P energy: -55.065
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -46.015
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -640.133900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.133900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.133900 (E_RNA)
where:
Base-Base interactions energy: -426.193
where: short stacking energy: -188.202
Base-Backbone interact. energy: -2.482
local terms energy: -211.458036
where:
bonds (distance) C4'-P energy: -47.931
bonds (distance) P-C4' energy: -48.008
flat angles C4'-P-C4' energy: -43.087
flat angles P-C4'-P energy: -30.103
tors. eta vs tors. theta energy: -42.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -611.267556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.267556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.267556 (E_RNA)
where:
Base-Base interactions energy: -408.234
where: short stacking energy: -174.414
Base-Backbone interact. energy: -0.124
local terms energy: -202.909794
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -42.502
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: 3
Temperature: 1.300000
Total energy: -532.230061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.230061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.230061 (E_RNA)
where:
Base-Base interactions energy: -362.026
where: short stacking energy: -142.196
Base-Backbone interact. energy: 4.084
local terms energy: -174.288483
where:
bonds (distance) C4'-P energy: -32.447
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -50.835
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -20.010
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: 3
Temperature: 1.350000
Total energy: -543.875180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.875180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.875180 (E_RNA)
where:
Base-Base interactions energy: -359.179
where: short stacking energy: -145.208
Base-Backbone interact. energy: 8.043
local terms energy: -192.739296
where:
bonds (distance) C4'-P energy: -49.889
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -838.861792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.861792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.861792 (E_RNA)
where:
Base-Base interactions energy: -581.248
where: short stacking energy: -244.453
Base-Backbone interact. energy: 1.592
local terms energy: -259.205754
where:
bonds (distance) C4'-P energy: -50.409
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -57.050
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: -58.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -840.809179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.809179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.809179 (E_RNA)
where:
Base-Base interactions energy: -571.884
where: short stacking energy: -255.172
Base-Backbone interact. energy: -1.479
local terms energy: -267.445835
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -46.091
tors. eta vs tors. theta energy: -58.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -818.122047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.122047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.122047 (E_RNA)
where:
Base-Base interactions energy: -563.105
where: short stacking energy: -241.861
Base-Backbone interact. energy: -0.910
local terms energy: -254.107339
where:
bonds (distance) C4'-P energy: -44.229
bonds (distance) P-C4' energy: -58.092
flat angles C4'-P-C4' energy: -54.413
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -739.927227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.927227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.927227 (E_RNA)
where:
Base-Base interactions energy: -505.724
where: short stacking energy: -205.689
Base-Backbone interact. energy: -0.321
local terms energy: -233.882607
where:
bonds (distance) C4'-P energy: -50.467
bonds (distance) P-C4' energy: -49.741
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -38.059
tors. eta vs tors. theta energy: -39.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -722.683364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.683364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.683364 (E_RNA)
where:
Base-Base interactions energy: -473.965
where: short stacking energy: -208.137
Base-Backbone interact. energy: -0.742
local terms energy: -247.976430
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -55.659
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -53.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -644.104140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.104140 (E_RNA)
where:
Base-Base interactions energy: -425.849
where: short stacking energy: -174.562
Base-Backbone interact. energy: 1.923
local terms energy: -220.178011
where:
bonds (distance) C4'-P energy: -50.173
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -616.614147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.614147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.614147 (E_RNA)
where:
Base-Base interactions energy: -408.935
where: short stacking energy: -172.923
Base-Backbone interact. energy: -1.492
local terms energy: -206.186569
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -47.533
flat angles C4'-P-C4' energy: -43.874
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -36.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -641.353826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.353826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.353826 (E_RNA)
where:
Base-Base interactions energy: -435.163
where: short stacking energy: -183.117
Base-Backbone interact. energy: -0.050
local terms energy: -206.140549
where:
bonds (distance) C4'-P energy: -45.133
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -546.222735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.222735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.222735 (E_RNA)
where:
Base-Base interactions energy: -365.982
where: short stacking energy: -167.915
Base-Backbone interact. energy: -0.421
local terms energy: -179.819865
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -32.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -482.525285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.525285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.525285 (E_RNA)
where:
Base-Base interactions energy: -296.037
where: short stacking energy: -134.487
Base-Backbone interact. energy: -0.158
local terms energy: -186.330582
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -44.053
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -32.047
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -859.646716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.646716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.646716 (E_RNA)
where:
Base-Base interactions energy: -582.575
where: short stacking energy: -251.566
Base-Backbone interact. energy: -1.607
local terms energy: -275.464755
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -59.246
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -65.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -839.591344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.591344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.591344 (E_RNA)
where:
Base-Base interactions energy: -567.514
where: short stacking energy: -258.519
Base-Backbone interact. energy: -1.537
local terms energy: -270.540100
where:
bonds (distance) C4'-P energy: -49.452
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -72.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -821.445025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.445025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.445025 (E_RNA)
where:
Base-Base interactions energy: -572.086
where: short stacking energy: -253.687
Base-Backbone interact. energy: 0.379
local terms energy: -249.737438
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -63.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -738.169646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.169646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.169646 (E_RNA)
where:
Base-Base interactions energy: -500.735
where: short stacking energy: -213.962
Base-Backbone interact. energy: -0.549
local terms energy: -236.885963
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -47.003
flat angles P-C4'-P energy: -32.942
tors. eta vs tors. theta energy: -53.889
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: 5
Temperature: 1.100000
Total energy: -756.946983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.946983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.946983 (E_RNA)
where:
Base-Base interactions energy: -531.549
where: short stacking energy: -215.201
Base-Backbone interact. energy: 3.371
local terms energy: -228.769035
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -53.373
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -659.306653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.306653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.306653 (E_RNA)
where:
Base-Base interactions energy: -440.379
where: short stacking energy: -192.064
Base-Backbone interact. energy: -0.828
local terms energy: -218.099774
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: -44.771
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -603.521819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.521819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.521819 (E_RNA)
where:
Base-Base interactions energy: -402.146
where: short stacking energy: -173.786
Base-Backbone interact. energy: 1.230
local terms energy: -202.605049
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -48.688
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -31.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -659.867270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.867270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.867270 (E_RNA)
where:
Base-Base interactions energy: -454.434
where: short stacking energy: -189.300
Base-Backbone interact. energy: -0.459
local terms energy: -204.973701
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -45.920
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -39.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -561.397592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.397592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.397592 (E_RNA)
where:
Base-Base interactions energy: -346.094
where: short stacking energy: -146.373
Base-Backbone interact. energy: 0.129
local terms energy: -215.432804
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -44.801
flat angles C4'-P-C4' energy: -44.843
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -38.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -407.179531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.179531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.179531 (E_RNA)
where:
Base-Base interactions energy: -242.339
where: short stacking energy: -124.885
Base-Backbone interact. energy: -1.343
local terms energy: -163.497481
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -865.898911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.898911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.898911 (E_RNA)
where:
Base-Base interactions energy: -590.333
where: short stacking energy: -255.763
Base-Backbone interact. energy: -1.073
local terms energy: -274.492930
where:
bonds (distance) C4'-P energy: -50.868
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -61.135
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -69.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -842.169096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.169096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.169096 (E_RNA)
where:
Base-Base interactions energy: -579.281
where: short stacking energy: -248.934
Base-Backbone interact. energy: -2.496
local terms energy: -260.392149
where:
bonds (distance) C4'-P energy: -43.321
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -39.393
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -817.195229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.195229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.195229 (E_RNA)
where:
Base-Base interactions energy: -547.975
where: short stacking energy: -248.043
Base-Backbone interact. energy: -0.638
local terms energy: -268.582265
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -66.272
flat angles P-C4'-P energy: -35.770
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: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -790.660238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.660238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.660238 (E_RNA)
where:
Base-Base interactions energy: -542.354
where: short stacking energy: -244.763
Base-Backbone interact. energy: -2.474
local terms energy: -245.833090
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -67.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -742.620809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.620809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.620809 (E_RNA)
where:
Base-Base interactions energy: -514.308
where: short stacking energy: -225.333
Base-Backbone interact. energy: -1.863
local terms energy: -226.449785
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -54.867
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: 6
Temperature: 1.150000
Total energy: -657.166972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.166972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.166972 (E_RNA)
where:
Base-Base interactions energy: -434.671
where: short stacking energy: -185.805
Base-Backbone interact. energy: -2.411
local terms energy: -220.085151
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -45.923
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -38.338
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: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -638.084734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.084734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.084734 (E_RNA)
where:
Base-Base interactions energy: -436.080
where: short stacking energy: -186.073
Base-Backbone interact. energy: 0.458
local terms energy: -202.462943
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -46.884
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -582.889474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.889474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.889474 (E_RNA)
where:
Base-Base interactions energy: -389.710
where: short stacking energy: -165.258
Base-Backbone interact. energy: 0.909
local terms energy: -194.087968
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -48.566
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -30.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -490.278797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.278797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.278797 (E_RNA)
where:
Base-Base interactions energy: -308.479
where: short stacking energy: -129.527
Base-Backbone interact. energy: -0.907
local terms energy: -180.893263
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -17.596
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: 6
Temperature: 1.350000
Total energy: -431.974681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.974681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.974681 (E_RNA)
where:
Base-Base interactions energy: -299.398
where: short stacking energy: -131.538
Base-Backbone interact. energy: 2.249
local terms energy: -134.825688
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -860.634623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.634623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.634623 (E_RNA)
where:
Base-Base interactions energy: -586.304
where: short stacking energy: -268.762
Base-Backbone interact. energy: -1.453
local terms energy: -272.876773
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -70.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -831.669981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.669981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.669981 (E_RNA)
where:
Base-Base interactions energy: -556.731
where: short stacking energy: -256.836
Base-Backbone interact. energy: -0.363
local terms energy: -274.576575
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -56.300
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -73.322
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -829.959792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.959792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.959792 (E_RNA)
where:
Base-Base interactions energy: -566.992
where: short stacking energy: -242.612
Base-Backbone interact. energy: -1.402
local terms energy: -261.566103
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -58.660
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -64.268
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -762.607205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.607205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.607205 (E_RNA)
where:
Base-Base interactions energy: -527.926
where: short stacking energy: -227.862
Base-Backbone interact. energy: -0.544
local terms energy: -234.137192
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -48.028
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -740.556028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.556028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.556028 (E_RNA)
where:
Base-Base interactions energy: -504.598
where: short stacking energy: -206.951
Base-Backbone interact. energy: 0.049
local terms energy: -236.007509
where:
bonds (distance) C4'-P energy: -46.482
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: -50.160
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: 7
Temperature: 1.150000
Total energy: -636.343107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.343107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.343107 (E_RNA)
where:
Base-Base interactions energy: -417.614
where: short stacking energy: -185.793
Base-Backbone interact. energy: -0.422
local terms energy: -218.307529
where:
bonds (distance) C4'-P energy: -44.645
bonds (distance) P-C4' energy: -55.952
flat angles C4'-P-C4' energy: -48.271
flat angles P-C4'-P energy: -35.021
tors. eta vs tors. theta energy: -34.419
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: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -632.390884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.390884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.390884 (E_RNA)
where:
Base-Base interactions energy: -432.763
where: short stacking energy: -153.077
Base-Backbone interact. energy: 1.410
local terms energy: -201.037554
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -30.023
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -555.312656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.312656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.312656 (E_RNA)
where:
Base-Base interactions energy: -367.280
where: short stacking energy: -170.590
Base-Backbone interact. energy: -2.136
local terms energy: -185.897483
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -36.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -518.899896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.899896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.899896 (E_RNA)
where:
Base-Base interactions energy: -330.131
where: short stacking energy: -142.556
Base-Backbone interact. energy: -0.682
local terms energy: -188.086135
where:
bonds (distance) C4'-P energy: -41.217
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -47.046
flat angles P-C4'-P energy: -31.447
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -428.925925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.925925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.925925 (E_RNA)
where:
Base-Base interactions energy: -262.304
where: short stacking energy: -116.177
Base-Backbone interact. energy: 0.176
local terms energy: -166.797897
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -38.924
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -876.860949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.860949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.860949 (E_RNA)
where:
Base-Base interactions energy: -594.831
where: short stacking energy: -264.590
Base-Backbone interact. energy: -1.634
local terms energy: -280.396915
where:
bonds (distance) C4'-P energy: -50.098
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -74.391
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: 8
Temperature: 0.950000
Total energy: -828.492066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.492066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.492066 (E_RNA)
where:
Base-Base interactions energy: -556.892
where: short stacking energy: -250.762
Base-Backbone interact. energy: -0.579
local terms energy: -271.020548
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -61.726
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -65.363
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: 8
Temperature: 1.000000
Total energy: -788.055897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.055897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.055897 (E_RNA)
where:
Base-Base interactions energy: -539.505
where: short stacking energy: -235.008
Base-Backbone interact. energy: -0.619
local terms energy: -247.931397
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -45.927
flat angles C4'-P-C4' energy: -54.810
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -61.765
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -798.822160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.822160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.822160 (E_RNA)
where:
Base-Base interactions energy: -538.404
where: short stacking energy: -230.829
Base-Backbone interact. energy: -1.307
local terms energy: -259.111317
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -51.954
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -674.615467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.615467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.615467 (E_RNA)
where:
Base-Base interactions energy: -458.554
where: short stacking energy: -172.012
Base-Backbone interact. energy: -0.272
local terms energy: -215.789792
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -31.367
tors. eta vs tors. theta energy: -35.677
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -665.012583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.012583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.012583 (E_RNA)
where:
Base-Base interactions energy: -420.675
where: short stacking energy: -187.695
Base-Backbone interact. energy: -0.610
local terms energy: -243.728296
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -47.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -584.763110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.763110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.763110 (E_RNA)
where:
Base-Base interactions energy: -373.347
where: short stacking energy: -165.489
Base-Backbone interact. energy: -0.918
local terms energy: -210.497310
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -39.600
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: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -607.176395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.176395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.176395 (E_RNA)
where:
Base-Base interactions energy: -396.593
where: short stacking energy: -175.083
Base-Backbone interact. energy: -1.202
local terms energy: -209.380804
where:
bonds (distance) C4'-P energy: -40.441
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -50.891
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -44.872
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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -531.466374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.466374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.466374 (E_RNA)
where:
Base-Base interactions energy: -336.483
where: short stacking energy: -149.870
Base-Backbone interact. energy: -0.964
local terms energy: -194.019339
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -46.776
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -35.355
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: 8
Temperature: 1.350000
Total energy: -441.333643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.333643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.333643 (E_RNA)
where:
Base-Base interactions energy: -273.507
where: short stacking energy: -127.970
Base-Backbone interact. energy: 1.109
local terms energy: -168.934757
where:
bonds (distance) C4'-P energy: -36.963
bonds (distance) P-C4' energy: -41.347
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -884.385205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.385205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.385205 (E_RNA)
where:
Base-Base interactions energy: -595.258
where: short stacking energy: -270.035
Base-Backbone interact. energy: 0.410
local terms energy: -289.536898
where:
bonds (distance) C4'-P energy: -62.037
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -64.560
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -65.961
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: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -827.742107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.742107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.742107 (E_RNA)
where:
Base-Base interactions energy: -568.160
where: short stacking energy: -242.750
Base-Backbone interact. energy: -0.603
local terms energy: -258.978600
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -50.943
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -58.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -774.049847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.049847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.049847 (E_RNA)
where:
Base-Base interactions energy: -531.327
where: short stacking energy: -227.834
Base-Backbone interact. energy: -0.845
local terms energy: -241.878283
where:
bonds (distance) C4'-P energy: -43.710
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -57.917
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: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -766.053967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.053967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.053967 (E_RNA)
where:
Base-Base interactions energy: -522.040
where: short stacking energy: -227.580
Base-Backbone interact. energy: -1.924
local terms energy: -242.089613
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -56.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -705.996380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.996380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.996380 (E_RNA)
where:
Base-Base interactions energy: -478.868
where: short stacking energy: -204.216
Base-Backbone interact. energy: -1.875
local terms energy: -225.253530
where:
bonds (distance) C4'-P energy: -44.048
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -34.408
tors. eta vs tors. theta energy: -45.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -675.789937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.789937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.789937 (E_RNA)
where:
Base-Base interactions energy: -462.742
where: short stacking energy: -211.508
Base-Backbone interact. energy: -0.714
local terms energy: -212.334115
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -45.297
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -47.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -609.228478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.228478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.228478 (E_RNA)
where:
Base-Base interactions energy: -396.518
where: short stacking energy: -183.193
Base-Backbone interact. energy: -0.585
local terms energy: -212.125622
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -36.034
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -595.183134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.183134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.183134 (E_RNA)
where:
Base-Base interactions energy: -389.966
where: short stacking energy: -158.080
Base-Backbone interact. energy: -0.689
local terms energy: -204.528677
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -47.246
flat angles C4'-P-C4' energy: -48.534
flat angles P-C4'-P energy: -27.297
tors. eta vs tors. theta energy: -37.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -558.379396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.379396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.379396 (E_RNA)
where:
Base-Base interactions energy: -353.698
where: short stacking energy: -144.787
Base-Backbone interact. energy: -1.027
local terms energy: -203.653712
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -34.447
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: 9
Temperature: 1.350000
Total energy: -418.734051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.734051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.734051 (E_RNA)
where:
Base-Base interactions energy: -254.934
where: short stacking energy: -96.742
Base-Backbone interact. energy: 3.650
local terms energy: -167.450341
where:
bonds (distance) C4'-P energy: -44.284
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -45.921
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -14.101
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -862.829512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.829512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.829512 (E_RNA)
where:
Base-Base interactions energy: -582.268
where: short stacking energy: -261.239
Base-Backbone interact. energy: -0.216
local terms energy: -280.345077
where:
bonds (distance) C4'-P energy: -53.215
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -68.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -835.593109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.593109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.593109 (E_RNA)
where:
Base-Base interactions energy: -573.132
where: short stacking energy: -262.314
Base-Backbone interact. energy: -0.270
local terms energy: -262.191135
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -71.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -799.173487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.173487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.173487 (E_RNA)
where:
Base-Base interactions energy: -528.569
where: short stacking energy: -234.878
Base-Backbone interact. energy: 0.902
local terms energy: -271.507220
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -41.996
tors. eta vs tors. theta energy: -58.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -726.085258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.085258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.085258 (E_RNA)
where:
Base-Base interactions energy: -500.617
where: short stacking energy: -226.319
Base-Backbone interact. energy: -1.271
local terms energy: -224.196989
where:
bonds (distance) C4'-P energy: -45.086
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -52.102
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -55.643
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: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -738.635630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.635630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.635630 (E_RNA)
where:
Base-Base interactions energy: -510.166
where: short stacking energy: -203.923
Base-Backbone interact. energy: -1.898
local terms energy: -226.571753
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -50.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -662.389220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.389220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.389220 (E_RNA)
where:
Base-Base interactions energy: -440.175
where: short stacking energy: -188.576
Base-Backbone interact. energy: -1.036
local terms energy: -221.179011
where:
bonds (distance) C4'-P energy: -37.157
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -43.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -622.579814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.579814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.579814 (E_RNA)
where:
Base-Base interactions energy: -399.922
where: short stacking energy: -184.032
Base-Backbone interact. energy: -0.697
local terms energy: -221.960579
where:
bonds (distance) C4'-P energy: -40.526
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -53.385
flat angles P-C4'-P energy: -33.701
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: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -598.945874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.945874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.945874 (E_RNA)
where:
Base-Base interactions energy: -380.802
where: short stacking energy: -158.607
Base-Backbone interact. energy: -0.270
local terms energy: -217.873868
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -42.739
flat angles C4'-P-C4' energy: -51.097
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -42.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -532.359403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.359403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.359403 (E_RNA)
where:
Base-Base interactions energy: -345.392
where: short stacking energy: -145.442
Base-Backbone interact. energy: -0.883
local terms energy: -186.083812
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -33.564
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: 10
Temperature: 1.350000
Total energy: -437.286856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.286856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.286856 (E_RNA)
where:
Base-Base interactions energy: -251.953
where: short stacking energy: -126.696
Base-Backbone interact. energy: -0.474
local terms energy: -184.859757
where:
bonds (distance) C4'-P energy: -47.969
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -27.557
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -878.376274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.376274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.376274 (E_RNA)
where:
Base-Base interactions energy: -611.666
where: short stacking energy: -261.047
Base-Backbone interact. energy: -2.161
local terms energy: -264.549824
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -60.577
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -59.584
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: 11
Temperature: 0.950000
Total energy: -835.684916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.684916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.684916 (E_RNA)
where:
Base-Base interactions energy: -561.905
where: short stacking energy: -250.438
Base-Backbone interact. energy: -0.903
local terms energy: -272.877021
where:
bonds (distance) C4'-P energy: -58.839
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -64.617
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -796.405514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.405514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.405514 (E_RNA)
where:
Base-Base interactions energy: -541.974
where: short stacking energy: -227.311
Base-Backbone interact. energy: -1.693
local terms energy: -252.738617
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -769.129423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.129423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.129423 (E_RNA)
where:
Base-Base interactions energy: -538.560
where: short stacking energy: -225.740
Base-Backbone interact. energy: 2.063
local terms energy: -232.632046
where:
bonds (distance) C4'-P energy: -48.497
bonds (distance) P-C4' energy: -52.498
flat angles C4'-P-C4' energy: -48.364
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -47.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -744.036168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.036168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.036168 (E_RNA)
where:
Base-Base interactions energy: -509.998
where: short stacking energy: -213.309
Base-Backbone interact. energy: -0.786
local terms energy: -233.252629
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -48.461
flat angles C4'-P-C4' energy: -52.619
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -54.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -674.675993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.675993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.675993 (E_RNA)
where:
Base-Base interactions energy: -434.654
where: short stacking energy: -199.080
Base-Backbone interact. energy: -0.814
local terms energy: -239.208311
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -49.815
flat angles P-C4'-P energy: -34.855
tors. eta vs tors. theta energy: -48.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -622.485871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.485871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.485871 (E_RNA)
where:
Base-Base interactions energy: -404.888
where: short stacking energy: -166.155
Base-Backbone interact. energy: -0.124
local terms energy: -217.474385
where:
bonds (distance) C4'-P energy: -43.720
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -52.445
flat angles P-C4'-P energy: -35.004
tors. eta vs tors. theta energy: -37.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -536.510277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.510277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.510277 (E_RNA)
where:
Base-Base interactions energy: -345.542
where: short stacking energy: -158.863
Base-Backbone interact. energy: -1.160
local terms energy: -189.808639
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -42.572
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -516.343396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.343396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.343396 (E_RNA)
where:
Base-Base interactions energy: -345.803
where: short stacking energy: -156.995
Base-Backbone interact. energy: 3.249
local terms energy: -173.789947
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -38.737
flat angles C4'-P-C4' energy: -43.500
flat angles P-C4'-P energy: -24.983
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: 11
Temperature: 1.350000
Total energy: -452.437491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.437491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.437491 (E_RNA)
where:
Base-Base interactions energy: -272.125
where: short stacking energy: -136.456
Base-Backbone interact. energy: -0.591
local terms energy: -179.721328
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -21.794
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: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -871.505001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.505001 (E_RNA)
where:
Base-Base interactions energy: -593.899
where: short stacking energy: -247.771
Base-Backbone interact. energy: -0.841
local terms energy: -276.765779
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -56.674
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -41.789
tors. eta vs tors. theta energy: -66.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -875.238399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.238399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.238399 (E_RNA)
where:
Base-Base interactions energy: -608.415
where: short stacking energy: -268.880
Base-Backbone interact. energy: 0.968
local terms energy: -267.792105
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -51.493
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -34.670
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: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -786.485830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.485830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.485830 (E_RNA)
where:
Base-Base interactions energy: -538.267
where: short stacking energy: -220.292
Base-Backbone interact. energy: -0.942
local terms energy: -247.276730
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -55.687
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -54.177
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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -774.600224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.600224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.600224 (E_RNA)
where:
Base-Base interactions energy: -523.082
where: short stacking energy: -238.683
Base-Backbone interact. energy: -0.507
local terms energy: -251.010705
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -60.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -700.352351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.352351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.352351 (E_RNA)
where:
Base-Base interactions energy: -468.251
where: short stacking energy: -193.982
Base-Backbone interact. energy: -0.507
local terms energy: -231.594081
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -50.321
flat angles C4'-P-C4' energy: -46.027
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -46.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -661.596273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.596273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.596273 (E_RNA)
where:
Base-Base interactions energy: -449.882
where: short stacking energy: -201.967
Base-Backbone interact. energy: -0.539
local terms energy: -211.175731
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -50.326
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -47.632
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -612.851374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.851374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.851374 (E_RNA)
where:
Base-Base interactions energy: -403.773
where: short stacking energy: -185.791
Base-Backbone interact. energy: -0.557
local terms energy: -208.520770
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -40.896
flat angles P-C4'-P energy: -30.842
tors. eta vs tors. theta energy: -40.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -598.125977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.125977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.125977 (E_RNA)
where:
Base-Base interactions energy: -406.045
where: short stacking energy: -161.803
Base-Backbone interact. energy: 5.257
local terms energy: -197.338194
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -49.859
flat angles C4'-P-C4' energy: -39.647
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -32.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -523.768498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.768498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.768498 (E_RNA)
where:
Base-Base interactions energy: -360.941
where: short stacking energy: -156.221
Base-Backbone interact. energy: 0.483
local terms energy: -163.310654
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -33.484
flat angles C4'-P-C4' energy: -43.248
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -414.205121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.205121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.205121 (E_RNA)
where:
Base-Base interactions energy: -266.475
where: short stacking energy: -124.074
Base-Backbone interact. energy: -0.577
local terms energy: -147.152839
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -39.439
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -16.301
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -861.297286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.297286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.297286 (E_RNA)
where:
Base-Base interactions energy: -598.960
where: short stacking energy: -268.547
Base-Backbone interact. energy: 1.726
local terms energy: -264.063481
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -53.545
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -39.452
tors. eta vs tors. theta energy: -67.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -858.731159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.731159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.731159 (E_RNA)
where:
Base-Base interactions energy: -584.307
where: short stacking energy: -254.525
Base-Backbone interact. energy: -3.594
local terms energy: -270.830812
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -61.118
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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -770.583454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.583454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.583454 (E_RNA)
where:
Base-Base interactions energy: -518.431
where: short stacking energy: -221.319
Base-Backbone interact. energy: 5.655
local terms energy: -257.807683
where:
bonds (distance) C4'-P energy: -50.805
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -746.644995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.644995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.644995 (E_RNA)
where:
Base-Base interactions energy: -497.663
where: short stacking energy: -229.416
Base-Backbone interact. energy: -1.550
local terms energy: -247.432167
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -48.915
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -61.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -702.183218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.183218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.183218 (E_RNA)
where:
Base-Base interactions energy: -470.859
where: short stacking energy: -203.443
Base-Backbone interact. energy: -0.799
local terms energy: -230.525434
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -49.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -680.198934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.198934 (E_RNA)
where:
Base-Base interactions energy: -453.456
where: short stacking energy: -212.879
Base-Backbone interact. energy: -0.682
local terms energy: -226.061257
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -50.967
flat angles C4'-P-C4' energy: -45.492
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -50.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -641.370247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.370247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.370247 (E_RNA)
where:
Base-Base interactions energy: -412.862
where: short stacking energy: -169.081
Base-Backbone interact. energy: -2.366
local terms energy: -226.142080
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -614.906745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.906745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.906745 (E_RNA)
where:
Base-Base interactions energy: -419.680
where: short stacking energy: -182.595
Base-Backbone interact. energy: 0.537
local terms energy: -195.762951
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -29.274
tors. eta vs tors. theta energy: -48.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -553.037161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.037161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.037161 (E_RNA)
where:
Base-Base interactions energy: -389.703
where: short stacking energy: -175.175
Base-Backbone interact. energy: -0.631
local terms energy: -162.703843
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -38.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -361.747856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.747856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.747856 (E_RNA)
where:
Base-Base interactions energy: -195.363
where: short stacking energy: -106.888
Base-Backbone interact. energy: -1.053
local terms energy: -165.331840
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -48.389
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -857.704294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.704294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.704294 (E_RNA)
where:
Base-Base interactions energy: -598.437
where: short stacking energy: -243.848
Base-Backbone interact. energy: -0.673
local terms energy: -258.594660
where:
bonds (distance) C4'-P energy: -51.947
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -53.117
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -60.369
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: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -850.754633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.754633 (E_RNA)
where:
Base-Base interactions energy: -575.312
where: short stacking energy: -258.888
Base-Backbone interact. energy: -0.974
local terms energy: -274.468411
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -56.955
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: -69.329
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: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -783.708201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.708201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.708201 (E_RNA)
where:
Base-Base interactions energy: -542.251
where: short stacking energy: -235.660
Base-Backbone interact. energy: 4.630
local terms energy: -246.087368
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -55.691
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -58.218
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: 14
Temperature: 1.050000
Total energy: -753.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.833808 (E_RNA)
where:
Base-Base interactions energy: -510.532
where: short stacking energy: -221.159
Base-Backbone interact. energy: -2.657
local terms energy: -240.644732
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -42.783
flat angles C4'-P-C4' energy: -46.751
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: -59.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -743.792503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.792503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.792503 (E_RNA)
where:
Base-Base interactions energy: -512.021
where: short stacking energy: -215.447
Base-Backbone interact. energy: -2.106
local terms energy: -229.665400
where:
bonds (distance) C4'-P energy: -47.027
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -51.707
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: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -657.856446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.856446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.856446 (E_RNA)
where:
Base-Base interactions energy: -431.221
where: short stacking energy: -202.239
Base-Backbone interact. energy: -0.674
local terms energy: -225.960779
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -54.164
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -29.645
tors. eta vs tors. theta energy: -51.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -646.749223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.749223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.749223 (E_RNA)
where:
Base-Base interactions energy: -422.442
where: short stacking energy: -182.229
Base-Backbone interact. energy: -1.015
local terms energy: -223.291820
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -50.793
flat angles P-C4'-P energy: -36.781
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: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -557.237520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.237520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.237520 (E_RNA)
where:
Base-Base interactions energy: -364.705
where: short stacking energy: -160.956
Base-Backbone interact. energy: -0.907
local terms energy: -191.625575
where:
bonds (distance) C4'-P energy: -37.047
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -47.554
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -37.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -546.627873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.627873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.627873 (E_RNA)
where:
Base-Base interactions energy: -358.144
where: short stacking energy: -156.941
Base-Backbone interact. energy: -0.057
local terms energy: -188.427311
where:
bonds (distance) C4'-P energy: -37.817
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -54.010
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -37.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -401.346426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.346426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.346426 (E_RNA)
where:
Base-Base interactions energy: -242.039
where: short stacking energy: -103.556
Base-Backbone interact. energy: 0.308
local terms energy: -159.616025
where:
bonds (distance) C4'-P energy: -33.879
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -38.175
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -12.165
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -849.766011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.766011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.766011 (E_RNA)
where:
Base-Base interactions energy: -573.363
where: short stacking energy: -257.962
Base-Backbone interact. energy: -1.946
local terms energy: -274.456593
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -56.085
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -67.214
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: 15
Temperature: 0.950000
Total energy: -841.660291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.660291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.660291 (E_RNA)
where:
Base-Base interactions energy: -574.506
where: short stacking energy: -243.352
Base-Backbone interact. energy: -1.492
local terms energy: -265.662402
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -57.765
flat angles P-C4'-P energy: -49.910
tors. eta vs tors. theta energy: -60.305
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -801.205610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.205610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.205610 (E_RNA)
where:
Base-Base interactions energy: -537.343
where: short stacking energy: -220.725
Base-Backbone interact. energy: -0.423
local terms energy: -263.439941
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -59.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -763.085062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.085062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.085062 (E_RNA)
where:
Base-Base interactions energy: -524.775
where: short stacking energy: -222.033
Base-Backbone interact. energy: -0.644
local terms energy: -237.665593
where:
bonds (distance) C4'-P energy: -51.730
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -56.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -745.883023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.883023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.883023 (E_RNA)
where:
Base-Base interactions energy: -514.323
where: short stacking energy: -213.006
Base-Backbone interact. energy: 0.179
local terms energy: -231.738859
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -56.371
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: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -683.941150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.941150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.941150 (E_RNA)
where:
Base-Base interactions energy: -463.832
where: short stacking energy: -187.624
Base-Backbone interact. energy: -0.277
local terms energy: -219.832296
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -49.320
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -49.609
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: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -634.801529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.801529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.801529 (E_RNA)
where:
Base-Base interactions energy: -394.971
where: short stacking energy: -197.621
Base-Backbone interact. energy: 0.670
local terms energy: -240.500154
where:
bonds (distance) C4'-P energy: -43.326
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -60.062
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: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -571.990198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.990198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.990198 (E_RNA)
where:
Base-Base interactions energy: -373.585
where: short stacking energy: -167.022
Base-Backbone interact. energy: 0.408
local terms energy: -198.813379
where:
bonds (distance) C4'-P energy: -43.960
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -510.885026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.885026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.885026 (E_RNA)
where:
Base-Base interactions energy: -307.527
where: short stacking energy: -125.682
Base-Backbone interact. energy: 0.246
local terms energy: -203.603651
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -47.964
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -28.159
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: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -470.197394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.197394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.197394 (E_RNA)
where:
Base-Base interactions energy: -296.719
where: short stacking energy: -139.280
Base-Backbone interact. energy: 0.854
local terms energy: -174.332674
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -44.879
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -871.241167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.241167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.241167 (E_RNA)
where:
Base-Base interactions energy: -583.178
where: short stacking energy: -262.290
Base-Backbone interact. energy: -1.596
local terms energy: -286.467387
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -74.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -821.463103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.463103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.463103 (E_RNA)
where:
Base-Base interactions energy: -552.155
where: short stacking energy: -248.185
Base-Backbone interact. energy: -0.274
local terms energy: -269.034278
where:
bonds (distance) C4'-P energy: -49.025
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -63.877
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -808.711918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.711918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.711918 (E_RNA)
where:
Base-Base interactions energy: -552.504
where: short stacking energy: -248.305
Base-Backbone interact. energy: -0.070
local terms energy: -256.138344
where:
bonds (distance) C4'-P energy: -42.538
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -61.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -796.669651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.669651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.669651 (E_RNA)
where:
Base-Base interactions energy: -543.783
where: short stacking energy: -230.535
Base-Backbone interact. energy: -0.943
local terms energy: -251.943256
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -60.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -760.174530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.174530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.174530 (E_RNA)
where:
Base-Base interactions energy: -515.433
where: short stacking energy: -222.710
Base-Backbone interact. energy: -0.527
local terms energy: -244.214405
where:
bonds (distance) C4'-P energy: -42.410
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -60.540
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -700.718194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.718194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.718194 (E_RNA)
where:
Base-Base interactions energy: -479.662
where: short stacking energy: -186.182
Base-Backbone interact. energy: -1.049
local terms energy: -220.007012
where:
bonds (distance) C4'-P energy: -52.188
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -610.027651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.027651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.027651 (E_RNA)
where:
Base-Base interactions energy: -385.358
where: short stacking energy: -177.785
Base-Backbone interact. energy: 0.293
local terms energy: -224.962446
where:
bonds (distance) C4'-P energy: -49.689
bonds (distance) P-C4' energy: -48.452
flat angles C4'-P-C4' energy: -45.955
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -50.735
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: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -587.537316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.537316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.537316 (E_RNA)
where:
Base-Base interactions energy: -393.129
where: short stacking energy: -152.842
Base-Backbone interact. energy: -0.943
local terms energy: -193.464886
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -45.218
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -472.989658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.989658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.989658 (E_RNA)
where:
Base-Base interactions energy: -295.437
where: short stacking energy: -135.679
Base-Backbone interact. energy: -0.772
local terms energy: -176.780402
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -45.608
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -511.782577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.782577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.782577 (E_RNA)
where:
Base-Base interactions energy: -326.122
where: short stacking energy: -144.033
Base-Backbone interact. energy: -0.913
local terms energy: -184.746834
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -47.957
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -873.700075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.700075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.700075 (E_RNA)
where:
Base-Base interactions energy: -587.304
where: short stacking energy: -257.256
Base-Backbone interact. energy: -0.631
local terms energy: -285.765058
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -44.764
tors. eta vs tors. theta energy: -74.618
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: 17
Temperature: 0.950000
Total energy: -815.203531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.203531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.203531 (E_RNA)
where:
Base-Base interactions energy: -562.575
where: short stacking energy: -235.140
Base-Backbone interact. energy: -1.027
local terms energy: -251.601724
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -52.043
flat angles C4'-P-C4' energy: -60.521
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -52.629
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -797.669646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.669646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.669646 (E_RNA)
where:
Base-Base interactions energy: -547.826
where: short stacking energy: -245.467
Base-Backbone interact. energy: -2.808
local terms energy: -247.035694
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -66.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -786.827987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.827987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.827987 (E_RNA)
where:
Base-Base interactions energy: -537.943
where: short stacking energy: -207.530
Base-Backbone interact. energy: -2.232
local terms energy: -246.653237
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -52.477
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -51.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -746.718272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.718272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.718272 (E_RNA)
where:
Base-Base interactions energy: -511.550
where: short stacking energy: -215.232
Base-Backbone interact. energy: -0.485
local terms energy: -234.683800
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -46.499
flat angles C4'-P-C4' energy: -49.881
flat angles P-C4'-P energy: -33.450
tors. eta vs tors. theta energy: -52.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -677.395776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.395776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.395776 (E_RNA)
where:
Base-Base interactions energy: -459.279
where: short stacking energy: -204.970
Base-Backbone interact. energy: -0.911
local terms energy: -217.206280
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -43.436
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -49.159
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -594.602289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.602289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.602289 (E_RNA)
where:
Base-Base interactions energy: -382.460
where: short stacking energy: -190.568
Base-Backbone interact. energy: -0.284
local terms energy: -211.858469
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -43.457
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -54.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -525.954779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.954779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.954779 (E_RNA)
where:
Base-Base interactions energy: -342.793
where: short stacking energy: -147.234
Base-Backbone interact. energy: -0.836
local terms energy: -182.325630
where:
bonds (distance) C4'-P energy: -44.366
bonds (distance) P-C4' energy: -39.841
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -34.639
tors. eta vs tors. theta energy: -21.565
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -583.537279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.537279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.537279 (E_RNA)
where:
Base-Base interactions energy: -372.796
where: short stacking energy: -158.404
Base-Backbone interact. energy: -0.787
local terms energy: -209.954579
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -47.994
flat angles C4'-P-C4' energy: -49.462
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -34.608
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -483.245578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.245578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.245578 (E_RNA)
where:
Base-Base interactions energy: -312.576
where: short stacking energy: -155.568
Base-Backbone interact. energy: 0.414
local terms energy: -171.083302
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -868.940138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.940138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.940138 (E_RNA)
where:
Base-Base interactions energy: -607.394
where: short stacking energy: -261.613
Base-Backbone interact. energy: -1.691
local terms energy: -259.854611
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -65.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -843.511396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.511396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.511396 (E_RNA)
where:
Base-Base interactions energy: -578.552
where: short stacking energy: -253.627
Base-Backbone interact. energy: -1.109
local terms energy: -263.850519
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -53.413
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -44.581
tors. eta vs tors. theta energy: -59.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -790.203714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.203714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.203714 (E_RNA)
where:
Base-Base interactions energy: -545.871
where: short stacking energy: -235.838
Base-Backbone interact. energy: 0.750
local terms energy: -245.083354
where:
bonds (distance) C4'-P energy: -46.608
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -61.574
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -769.069116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.069116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.069116 (E_RNA)
where:
Base-Base interactions energy: -515.564
where: short stacking energy: -230.449
Base-Backbone interact. energy: 0.132
local terms energy: -253.637450
where:
bonds (distance) C4'-P energy: -51.879
bonds (distance) P-C4' energy: -54.235
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -37.545
tors. eta vs tors. theta energy: -56.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -750.195870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.195870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.195870 (E_RNA)
where:
Base-Base interactions energy: -505.188
where: short stacking energy: -210.819
Base-Backbone interact. energy: -2.092
local terms energy: -242.915492
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -59.626
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -55.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -645.865270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.865270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.865270 (E_RNA)
where:
Base-Base interactions energy: -436.570
where: short stacking energy: -185.034
Base-Backbone interact. energy: -0.810
local terms energy: -208.484685
where:
bonds (distance) C4'-P energy: -52.706
bonds (distance) P-C4' energy: -48.896
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -26.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -587.920045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.920045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.920045 (E_RNA)
where:
Base-Base interactions energy: -369.408
where: short stacking energy: -171.865
Base-Backbone interact. energy: 0.474
local terms energy: -218.985836
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: -37.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -537.925667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.925667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.925667 (E_RNA)
where:
Base-Base interactions energy: -347.679
where: short stacking energy: -146.916
Base-Backbone interact. energy: -0.838
local terms energy: -189.408551
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -45.707
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -24.765
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -524.917410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.917410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.917410 (E_RNA)
where:
Base-Base interactions energy: -357.055
where: short stacking energy: -150.385
Base-Backbone interact. energy: -1.512
local terms energy: -166.350082
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -30.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -483.135863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.135863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.135863 (E_RNA)
where:
Base-Base interactions energy: -298.169
where: short stacking energy: -125.824
Base-Backbone interact. energy: -0.263
local terms energy: -184.704214
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -37.584
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -867.636969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.636969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.636969 (E_RNA)
where:
Base-Base interactions energy: -600.774
where: short stacking energy: -263.432
Base-Backbone interact. energy: -1.303
local terms energy: -265.560239
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -50.790
flat angles C4'-P-C4' energy: -65.054
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -69.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -832.963278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.963278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.963278 (E_RNA)
where:
Base-Base interactions energy: -569.664
where: short stacking energy: -240.360
Base-Backbone interact. energy: -0.553
local terms energy: -262.746267
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -52.320
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -64.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -794.901836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.901836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.901836 (E_RNA)
where:
Base-Base interactions energy: -534.054
where: short stacking energy: -231.214
Base-Backbone interact. energy: -0.730
local terms energy: -260.117321
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -66.964
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: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -760.898208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.898208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.898208 (E_RNA)
where:
Base-Base interactions energy: -533.150
where: short stacking energy: -231.930
Base-Backbone interact. energy: -0.082
local terms energy: -227.666359
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -44.492
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -731.785710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.785710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.785710 (E_RNA)
where:
Base-Base interactions energy: -498.788
where: short stacking energy: -205.058
Base-Backbone interact. energy: 0.399
local terms energy: -233.396247
where:
bonds (distance) C4'-P energy: -47.122
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -50.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -622.637757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.637757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.637757 (E_RNA)
where:
Base-Base interactions energy: -409.748
where: short stacking energy: -189.126
Base-Backbone interact. energy: -0.215
local terms energy: -212.674981
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -42.114
flat angles C4'-P-C4' energy: -45.045
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -50.191
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: 19
Temperature: 1.200000
Total energy: -622.180610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.180610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.180610 (E_RNA)
where:
Base-Base interactions energy: -411.238
where: short stacking energy: -173.952
Base-Backbone interact. energy: 1.097
local terms energy: -212.039479
where:
bonds (distance) C4'-P energy: -55.581
bonds (distance) P-C4' energy: -43.743
flat angles C4'-P-C4' energy: -43.974
flat angles P-C4'-P energy: -30.597
tors. eta vs tors. theta energy: -38.144
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: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -584.476062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.476062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.476062 (E_RNA)
where:
Base-Base interactions energy: -375.816
where: short stacking energy: -168.377
Base-Backbone interact. energy: 1.053
local terms energy: -209.713843
where:
bonds (distance) C4'-P energy: -42.927
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -33.025
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: 19
Temperature: 1.300000
Total energy: -556.803209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.803209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.803209 (E_RNA)
where:
Base-Base interactions energy: -374.697
where: short stacking energy: -164.120
Base-Backbone interact. energy: -1.616
local terms energy: -180.490468
where:
bonds (distance) C4'-P energy: -40.510
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -49.807
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -29.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -444.502129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.502129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.502129 (E_RNA)
where:
Base-Base interactions energy: -286.012
where: short stacking energy: -142.173
Base-Backbone interact. energy: 0.427
local terms energy: -158.917106
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -40.824
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -22.934
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: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -851.307416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.307416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.307416 (E_RNA)
where:
Base-Base interactions energy: -566.656
where: short stacking energy: -259.301
Base-Backbone interact. energy: -0.719
local terms energy: -283.932028
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -44.470
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -852.389617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.389617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.389617 (E_RNA)
where:
Base-Base interactions energy: -581.096
where: short stacking energy: -251.172
Base-Backbone interact. energy: -2.454
local terms energy: -268.840210
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -35.570
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: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -810.535926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.535926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.535926 (E_RNA)
where:
Base-Base interactions energy: -553.566
where: short stacking energy: -237.438
Base-Backbone interact. energy: -1.326
local terms energy: -255.643696
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -55.418
flat angles C4'-P-C4' energy: -56.987
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -781.510631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.510631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.510631 (E_RNA)
where:
Base-Base interactions energy: -521.433
where: short stacking energy: -226.899
Base-Backbone interact. energy: -2.676
local terms energy: -257.400909
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -38.361
tors. eta vs tors. theta energy: -60.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -727.828338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.828338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.828338 (E_RNA)
where:
Base-Base interactions energy: -482.588
where: short stacking energy: -219.626
Base-Backbone interact. energy: 6.698
local terms energy: -251.937993
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -49.045
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -60.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -632.974973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.974973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.974973 (E_RNA)
where:
Base-Base interactions energy: -422.662
where: short stacking energy: -202.461
Base-Backbone interact. energy: 0.852
local terms energy: -211.165302
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -47.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -611.735260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.735260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.735260 (E_RNA)
where:
Base-Base interactions energy: -403.547
where: short stacking energy: -170.852
Base-Backbone interact. energy: -0.904
local terms energy: -207.284781
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -53.552
flat angles C4'-P-C4' energy: -49.135
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -36.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -567.697427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.697427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.697427 (E_RNA)
where:
Base-Base interactions energy: -360.460
where: short stacking energy: -167.310
Base-Backbone interact. energy: 1.207
local terms energy: -208.444049
where:
bonds (distance) C4'-P energy: -49.424
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -45.082
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -40.522
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: 20
Temperature: 1.300000
Total energy: -516.673343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.673343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.673343 (E_RNA)
where:
Base-Base interactions energy: -327.881
where: short stacking energy: -140.794
Base-Backbone interact. energy: -1.299
local terms energy: -187.493775
where:
bonds (distance) C4'-P energy: -38.211
bonds (distance) P-C4' energy: -52.297
flat angles C4'-P-C4' energy: -38.272
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -25.516
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: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -388.244170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.244170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.244170 (E_RNA)
where:
Base-Base interactions energy: -227.317
where: short stacking energy: -113.543
Base-Backbone interact. energy: 2.323
local terms energy: -163.250463
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -848.167594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.167594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.167594 (E_RNA)
where:
Base-Base interactions energy: -574.537
where: short stacking energy: -268.342
Base-Backbone interact. energy: -1.221
local terms energy: -272.409966
where:
bonds (distance) C4'-P energy: -55.927
bonds (distance) P-C4' energy: -51.367
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -72.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -866.536361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.536361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.536361 (E_RNA)
where:
Base-Base interactions energy: -589.146
where: short stacking energy: -244.932
Base-Backbone interact. energy: -1.146
local terms energy: -276.244259
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -62.532
flat angles P-C4'-P energy: -44.932
tors. eta vs tors. theta energy: -60.906
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -795.022469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.022469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.022469 (E_RNA)
where:
Base-Base interactions energy: -545.355
where: short stacking energy: -234.798
Base-Backbone interact. energy: -0.373
local terms energy: -249.294774
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -65.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -767.714292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.714292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.714292 (E_RNA)
where:
Base-Base interactions energy: -532.125
where: short stacking energy: -217.429
Base-Backbone interact. energy: -1.653
local terms energy: -233.935877
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -33.543
tors. eta vs tors. theta energy: -48.157
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -699.395798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.395798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.395798 (E_RNA)
where:
Base-Base interactions energy: -471.151
where: short stacking energy: -204.368
Base-Backbone interact. energy: 1.208
local terms energy: -229.452841
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -51.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -705.547632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.547632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.547632 (E_RNA)
where:
Base-Base interactions energy: -466.966
where: short stacking energy: -209.697
Base-Backbone interact. energy: -1.088
local terms energy: -237.493542
where:
bonds (distance) C4'-P energy: -45.328
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -53.752
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: -51.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -592.642161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.642161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.642161 (E_RNA)
where:
Base-Base interactions energy: -394.320
where: short stacking energy: -166.719
Base-Backbone interact. energy: 1.858
local terms energy: -200.180541
where:
bonds (distance) C4'-P energy: -41.230
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -27.445
tors. eta vs tors. theta energy: -35.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -528.082329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.082329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.082329 (E_RNA)
where:
Base-Base interactions energy: -334.593
where: short stacking energy: -156.697
Base-Backbone interact. energy: 1.014
local terms energy: -194.503234
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -37.353
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -524.773144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.773144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.773144 (E_RNA)
where:
Base-Base interactions energy: -336.876
where: short stacking energy: -149.743
Base-Backbone interact. energy: -1.244
local terms energy: -186.653493
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -26.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -368.229829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.229829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.229829 (E_RNA)
where:
Base-Base interactions energy: -217.948
where: short stacking energy: -84.197
Base-Backbone interact. energy: 0.308
local terms energy: -150.589045
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -47.489
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -878.171494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.171494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.171494 (E_RNA)
where:
Base-Base interactions energy: -599.236
where: short stacking energy: -261.778
Base-Backbone interact. energy: -1.774
local terms energy: -277.161222
where:
bonds (distance) C4'-P energy: -51.929
bonds (distance) P-C4' energy: -57.188
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -67.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -849.146992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.146992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.146992 (E_RNA)
where:
Base-Base interactions energy: -586.192
where: short stacking energy: -249.815
Base-Backbone interact. energy: -0.077
local terms energy: -262.877983
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -59.239
flat angles C4'-P-C4' energy: -61.472
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -63.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -799.458327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.458327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.458327 (E_RNA)
where:
Base-Base interactions energy: -545.017
where: short stacking energy: -249.189
Base-Backbone interact. energy: -1.410
local terms energy: -253.031220
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -53.854
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -65.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -770.386483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.386483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.386483 (E_RNA)
where:
Base-Base interactions energy: -524.884
where: short stacking energy: -219.299
Base-Backbone interact. energy: -1.439
local terms energy: -244.063262
where:
bonds (distance) C4'-P energy: -49.234
bonds (distance) P-C4' energy: -49.454
flat angles C4'-P-C4' energy: -47.262
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -61.556
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: 22
Temperature: 1.100000
Total energy: -668.724865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.724865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.724865 (E_RNA)
where:
Base-Base interactions energy: -451.574
where: short stacking energy: -207.741
Base-Backbone interact. energy: -1.743
local terms energy: -215.407862
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -42.460
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: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -703.999451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.999451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.999451 (E_RNA)
where:
Base-Base interactions energy: -487.681
where: short stacking energy: -219.463
Base-Backbone interact. energy: 0.011
local terms energy: -216.329138
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -48.889
flat angles C4'-P-C4' energy: -51.170
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -50.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -615.262647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.262647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.262647 (E_RNA)
where:
Base-Base interactions energy: -428.436
where: short stacking energy: -177.578
Base-Backbone interact. energy: 1.659
local terms energy: -188.486534
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -23.547
tors. eta vs tors. theta energy: -39.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -491.771130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.771130 (E_RNA)
where:
Base-Base interactions energy: -325.398
where: short stacking energy: -130.715
Base-Backbone interact. energy: -1.665
local terms energy: -164.708263
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -19.185
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: 22
Temperature: 1.300000
Total energy: -521.439006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.439006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.439006 (E_RNA)
where:
Base-Base interactions energy: -335.966
where: short stacking energy: -156.325
Base-Backbone interact. energy: 3.114
local terms energy: -188.587480
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -367.996350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.996350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.996350 (E_RNA)
where:
Base-Base interactions energy: -209.555
where: short stacking energy: -113.225
Base-Backbone interact. energy: -0.187
local terms energy: -158.254022
where:
bonds (distance) C4'-P energy: -39.372
bonds (distance) P-C4' energy: -43.812
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -861.591109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.591109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.591109 (E_RNA)
where:
Base-Base interactions energy: -593.777
where: short stacking energy: -245.285
Base-Backbone interact. energy: -2.093
local terms energy: -265.721170
where:
bonds (distance) C4'-P energy: -53.311
bonds (distance) P-C4' energy: -55.634
flat angles C4'-P-C4' energy: -51.777
flat angles P-C4'-P energy: -46.256
tors. eta vs tors. theta energy: -58.742
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -815.370857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.370857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.370857 (E_RNA)
where:
Base-Base interactions energy: -545.220
where: short stacking energy: -232.081
Base-Backbone interact. energy: -0.758
local terms energy: -269.392429
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -58.665
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -60.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -825.244314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.244314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.244314 (E_RNA)
where:
Base-Base interactions energy: -575.165
where: short stacking energy: -256.330
Base-Backbone interact. energy: -0.798
local terms energy: -249.281088
where:
bonds (distance) C4'-P energy: -49.797
bonds (distance) P-C4' energy: -50.902
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -67.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -794.450609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.450609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.450609 (E_RNA)
where:
Base-Base interactions energy: -540.793
where: short stacking energy: -237.068
Base-Backbone interact. energy: 0.758
local terms energy: -254.415663
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -48.092
flat angles C4'-P-C4' energy: -58.162
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -59.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -708.062233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.062233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.062233 (E_RNA)
where:
Base-Base interactions energy: -463.587
where: short stacking energy: -217.370
Base-Backbone interact. energy: -1.314
local terms energy: -243.161389
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -37.890
tors. eta vs tors. theta energy: -50.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -669.142598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.142598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.142598 (E_RNA)
where:
Base-Base interactions energy: -455.562
where: short stacking energy: -201.218
Base-Backbone interact. energy: -0.776
local terms energy: -212.804375
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -49.088
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -26.763
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: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -590.905979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.905979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.905979 (E_RNA)
where:
Base-Base interactions energy: -386.325
where: short stacking energy: -168.287
Base-Backbone interact. energy: 3.108
local terms energy: -207.688599
where:
bonds (distance) C4'-P energy: -49.715
bonds (distance) P-C4' energy: -36.617
flat angles C4'-P-C4' energy: -51.801
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -500.982061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.982061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.982061 (E_RNA)
where:
Base-Base interactions energy: -307.398
where: short stacking energy: -150.890
Base-Backbone interact. energy: -0.181
local terms energy: -193.402975
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -50.273
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -496.937665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.937665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.937665 (E_RNA)
where:
Base-Base interactions energy: -334.914
where: short stacking energy: -139.530
Base-Backbone interact. energy: -0.502
local terms energy: -161.522281
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -15.046
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -444.003084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.003084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.003084 (E_RNA)
where:
Base-Base interactions energy: -287.588
where: short stacking energy: -140.367
Base-Backbone interact. energy: 1.679
local terms energy: -158.094105
where:
bonds (distance) C4'-P energy: -38.308
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -18.912
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -844.362758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.362758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.362758 (E_RNA)
where:
Base-Base interactions energy: -561.194
where: short stacking energy: -244.270
Base-Backbone interact. energy: -0.851
local terms energy: -282.318469
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -66.166
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: 24
Temperature: 0.950000
Total energy: -831.530571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.530571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.530571 (E_RNA)
where:
Base-Base interactions energy: -555.232
where: short stacking energy: -240.703
Base-Backbone interact. energy: -1.807
local terms energy: -274.492198
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -55.442
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -828.301269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.301269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.301269 (E_RNA)
where:
Base-Base interactions energy: -563.474
where: short stacking energy: -221.472
Base-Backbone interact. energy: -0.886
local terms energy: -263.941087
where:
bonds (distance) C4'-P energy: -40.363
bonds (distance) P-C4' energy: -58.229
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -807.650050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.650050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.650050 (E_RNA)
where:
Base-Base interactions energy: -550.494
where: short stacking energy: -245.231
Base-Backbone interact. energy: 1.922
local terms energy: -259.078134
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -73.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -702.810208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.810208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.810208 (E_RNA)
where:
Base-Base interactions energy: -472.327
where: short stacking energy: -221.468
Base-Backbone interact. energy: 0.704
local terms energy: -231.187236
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -47.069
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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -665.889694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.889694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.889694 (E_RNA)
where:
Base-Base interactions energy: -437.213
where: short stacking energy: -200.057
Base-Backbone interact. energy: -0.420
local terms energy: -228.255873
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -46.526
flat angles C4'-P-C4' energy: -54.933
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -56.998
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -626.261098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.261098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.261098 (E_RNA)
where:
Base-Base interactions energy: -404.204
where: short stacking energy: -180.943
Base-Backbone interact. energy: 0.176
local terms energy: -222.233318
where:
bonds (distance) C4'-P energy: -37.748
bonds (distance) P-C4' energy: -55.684
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: -42.834
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: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -613.325258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.325258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.325258 (E_RNA)
where:
Base-Base interactions energy: -402.172
where: short stacking energy: -185.916
Base-Backbone interact. energy: 0.263
local terms energy: -211.416466
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -45.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -500.379714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.379714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.379714 (E_RNA)
where:
Base-Base interactions energy: -317.209
where: short stacking energy: -148.527
Base-Backbone interact. energy: -0.533
local terms energy: -182.637064
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -27.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -418.381222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.381222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.381222 (E_RNA)
where:
Base-Base interactions energy: -228.265
where: short stacking energy: -111.855
Base-Backbone interact. energy: -0.074
local terms energy: -190.042110
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -41.195
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: -15.126
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -862.993515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.993515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.993515 (E_RNA)
where:
Base-Base interactions energy: -601.080
where: short stacking energy: -261.663
Base-Backbone interact. energy: -0.686
local terms energy: -261.227443
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -51.894
flat angles C4'-P-C4' energy: -63.043
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -66.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -852.608170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.608170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.608170 (E_RNA)
where:
Base-Base interactions energy: -594.754
where: short stacking energy: -248.034
Base-Backbone interact. energy: -0.731
local terms energy: -257.123315
where:
bonds (distance) C4'-P energy: -58.491
bonds (distance) P-C4' energy: -48.449
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -61.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -821.603472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.603472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.603472 (E_RNA)
where:
Base-Base interactions energy: -548.669
where: short stacking energy: -210.218
Base-Backbone interact. energy: 0.133
local terms energy: -273.067092
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -62.179
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -57.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -778.335772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.335772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.335772 (E_RNA)
where:
Base-Base interactions energy: -532.066
where: short stacking energy: -217.803
Base-Backbone interact. energy: 0.300
local terms energy: -246.569203
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -52.965
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: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -718.492851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.492851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.492851 (E_RNA)
where:
Base-Base interactions energy: -483.108
where: short stacking energy: -217.640
Base-Backbone interact. energy: 0.063
local terms energy: -235.448260
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -43.253
flat angles C4'-P-C4' energy: -50.741
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -55.800
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -678.677144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.677144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.677144 (E_RNA)
where:
Base-Base interactions energy: -428.283
where: short stacking energy: -192.657
Base-Backbone interact. energy: 0.037
local terms energy: -250.430723
where:
bonds (distance) C4'-P energy: -53.917
bonds (distance) P-C4' energy: -49.592
flat angles C4'-P-C4' energy: -58.985
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -602.560990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.560990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.560990 (E_RNA)
where:
Base-Base interactions energy: -404.062
where: short stacking energy: -177.045
Base-Backbone interact. energy: 0.140
local terms energy: -198.639178
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -41.029
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -42.902
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: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -583.061812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.061812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.061812 (E_RNA)
where:
Base-Base interactions energy: -381.492
where: short stacking energy: -172.958
Base-Backbone interact. energy: -0.585
local terms energy: -200.984334
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -38.576
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -483.675899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.675899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.675899 (E_RNA)
where:
Base-Base interactions energy: -324.900
where: short stacking energy: -123.690
Base-Backbone interact. energy: 0.556
local terms energy: -159.332226
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -43.100
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -390.654887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.654887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.654887 (E_RNA)
where:
Base-Base interactions energy: -219.942
where: short stacking energy: -116.124
Base-Backbone interact. energy: -1.929
local terms energy: -168.784182
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -43.540
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -16.755
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: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -883.198477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.198477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.198477 (E_RNA)
where:
Base-Base interactions energy: -612.508
where: short stacking energy: -265.764
Base-Backbone interact. energy: -0.432
local terms energy: -270.258202
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -55.987
flat angles C4'-P-C4' energy: -60.784
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -67.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -838.530434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.530434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.530434 (E_RNA)
where:
Base-Base interactions energy: -570.840
where: short stacking energy: -255.085
Base-Backbone interact. energy: -0.294
local terms energy: -267.396295
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -63.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -793.407251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.407251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.407251 (E_RNA)
where:
Base-Base interactions energy: -540.135
where: short stacking energy: -236.517
Base-Backbone interact. energy: -1.077
local terms energy: -252.195313
where:
bonds (distance) C4'-P energy: -52.222
bonds (distance) P-C4' energy: -55.273
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -37.797
tors. eta vs tors. theta energy: -57.328
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: 26
Temperature: 1.050000
Total energy: -816.225677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.225677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.225677 (E_RNA)
where:
Base-Base interactions energy: -562.815
where: short stacking energy: -232.907
Base-Backbone interact. energy: -0.532
local terms energy: -252.878695
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -53.273
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -57.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -732.845210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.845210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.845210 (E_RNA)
where:
Base-Base interactions energy: -468.703
where: short stacking energy: -218.809
Base-Backbone interact. energy: -1.448
local terms energy: -262.694280
where:
bonds (distance) C4'-P energy: -52.836
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -60.310
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -57.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -658.107436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.107436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.107436 (E_RNA)
where:
Base-Base interactions energy: -432.842
where: short stacking energy: -207.159
Base-Backbone interact. energy: 1.650
local terms energy: -226.915977
where:
bonds (distance) C4'-P energy: -41.735
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -45.927
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: -50.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -605.944256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.944256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.944256 (E_RNA)
where:
Base-Base interactions energy: -392.163
where: short stacking energy: -181.978
Base-Backbone interact. energy: -1.285
local terms energy: -212.496102
where:
bonds (distance) C4'-P energy: -42.112
bonds (distance) P-C4' energy: -44.349
flat angles C4'-P-C4' energy: -52.755
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -37.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -554.084163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.084163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.084163 (E_RNA)
where:
Base-Base interactions energy: -362.301
where: short stacking energy: -155.940
Base-Backbone interact. energy: -2.517
local terms energy: -189.266489
where:
bonds (distance) C4'-P energy: -44.234
bonds (distance) P-C4' energy: -42.327
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -24.099
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: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -534.188333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.188333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.188333 (E_RNA)
where:
Base-Base interactions energy: -351.216
where: short stacking energy: -152.883
Base-Backbone interact. energy: -1.200
local terms energy: -181.772629
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -27.940
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -420.780678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.780678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.780678 (E_RNA)
where:
Base-Base interactions energy: -218.094
where: short stacking energy: -103.032
Base-Backbone interact. energy: -0.264
local terms energy: -202.422912
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -864.549736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.549736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.549736 (E_RNA)
where:
Base-Base interactions energy: -594.053
where: short stacking energy: -249.228
Base-Backbone interact. energy: -2.231
local terms energy: -268.265941
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -65.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -831.354049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.354049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.354049 (E_RNA)
where:
Base-Base interactions energy: -577.812
where: short stacking energy: -255.282
Base-Backbone interact. energy: -2.535
local terms energy: -251.007224
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -53.780
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -58.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -793.331284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.331284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.331284 (E_RNA)
where:
Base-Base interactions energy: -530.396
where: short stacking energy: -236.474
Base-Backbone interact. energy: 1.724
local terms energy: -264.659922
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -50.755
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -63.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -799.314746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.314746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.314746 (E_RNA)
where:
Base-Base interactions energy: -564.070
where: short stacking energy: -243.443
Base-Backbone interact. energy: -0.261
local terms energy: -234.984293
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -47.292
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -61.025
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -726.139676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.139676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.139676 (E_RNA)
where:
Base-Base interactions energy: -489.513
where: short stacking energy: -225.598
Base-Backbone interact. energy: 0.943
local terms energy: -237.569549
where:
bonds (distance) C4'-P energy: -44.698
bonds (distance) P-C4' energy: -50.068
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -62.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -650.619799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.619799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.619799 (E_RNA)
where:
Base-Base interactions energy: -439.991
where: short stacking energy: -191.123
Base-Backbone interact. energy: 0.928
local terms energy: -211.556288
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -45.399
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -586.070760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.070760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.070760 (E_RNA)
where:
Base-Base interactions energy: -375.280
where: short stacking energy: -163.788
Base-Backbone interact. energy: -1.500
local terms energy: -209.291346
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -41.809
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -34.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -563.940083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.940083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.940083 (E_RNA)
where:
Base-Base interactions energy: -371.153
where: short stacking energy: -167.333
Base-Backbone interact. energy: -0.531
local terms energy: -192.256090
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -48.321
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -469.196595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.196595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.196595 (E_RNA)
where:
Base-Base interactions energy: -277.705
where: short stacking energy: -110.050
Base-Backbone interact. energy: -0.883
local terms energy: -190.608130
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -41.071
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -382.310605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.310605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.310605 (E_RNA)
where:
Base-Base interactions energy: -219.634
where: short stacking energy: -114.109
Base-Backbone interact. energy: -0.880
local terms energy: -161.796154
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -45.227
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -15.040
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: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -878.248512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.248512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.248512 (E_RNA)
where:
Base-Base interactions energy: -600.486
where: short stacking energy: -251.486
Base-Backbone interact. energy: -0.027
local terms energy: -277.735495
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -55.477
flat angles C4'-P-C4' energy: -55.742
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -69.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -825.007817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.007817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.007817 (E_RNA)
where:
Base-Base interactions energy: -562.741
where: short stacking energy: -232.304
Base-Backbone interact. energy: 1.641
local terms energy: -263.907383
where:
bonds (distance) C4'-P energy: -57.692
bonds (distance) P-C4' energy: -53.758
flat angles C4'-P-C4' energy: -59.711
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -49.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -800.747944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.747944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.747944 (E_RNA)
where:
Base-Base interactions energy: -545.282
where: short stacking energy: -236.264
Base-Backbone interact. energy: -0.875
local terms energy: -254.590754
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -48.235
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -68.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -768.519776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.519776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.519776 (E_RNA)
where:
Base-Base interactions energy: -517.226
where: short stacking energy: -223.409
Base-Backbone interact. energy: -2.730
local terms energy: -248.563368
where:
bonds (distance) C4'-P energy: -43.707
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -54.350
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -55.863
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -727.752342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.752342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.752342 (E_RNA)
where:
Base-Base interactions energy: -499.868
where: short stacking energy: -228.080
Base-Backbone interact. energy: -0.634
local terms energy: -227.250526
where:
bonds (distance) C4'-P energy: -41.692
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -38.855
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -680.866221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.866221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.866221 (E_RNA)
where:
Base-Base interactions energy: -470.334
where: short stacking energy: -196.134
Base-Backbone interact. energy: -0.581
local terms energy: -209.950425
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -55.114
flat angles P-C4'-P energy: -25.011
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -601.054805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.054805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.054805 (E_RNA)
where:
Base-Base interactions energy: -419.631
where: short stacking energy: -178.716
Base-Backbone interact. energy: -0.894
local terms energy: -180.530478
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -35.769
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: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -604.348607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.348607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.348607 (E_RNA)
where:
Base-Base interactions energy: -386.984
where: short stacking energy: -170.453
Base-Backbone interact. energy: 0.388
local terms energy: -217.752251
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -38.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -437.104554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.104554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.104554 (E_RNA)
where:
Base-Base interactions energy: -263.577
where: short stacking energy: -120.651
Base-Backbone interact. energy: -0.530
local terms energy: -172.997532
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -14.784
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: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -380.493751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.493751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.493751 (E_RNA)
where:
Base-Base interactions energy: -212.486
where: short stacking energy: -114.257
Base-Backbone interact. energy: -0.836
local terms energy: -167.171832
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -42.610
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -900.646796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.646796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.646796 (E_RNA)
where:
Base-Base interactions energy: -619.417
where: short stacking energy: -272.253
Base-Backbone interact. energy: -1.303
local terms energy: -279.927260
where:
bonds (distance) C4'-P energy: -55.827
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -62.930
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -75.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -851.346710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.346710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.346710 (E_RNA)
where:
Base-Base interactions energy: -574.049
where: short stacking energy: -238.799
Base-Backbone interact. energy: -0.837
local terms energy: -276.459932
where:
bonds (distance) C4'-P energy: -54.204
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -59.440
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: -67.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -798.224944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.224944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.224944 (E_RNA)
where:
Base-Base interactions energy: -541.955
where: short stacking energy: -232.409
Base-Backbone interact. energy: -0.789
local terms energy: -255.481539
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -43.234
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: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -767.677506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.677506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.677506 (E_RNA)
where:
Base-Base interactions energy: -529.751
where: short stacking energy: -216.428
Base-Backbone interact. energy: -0.531
local terms energy: -237.395823
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -51.578
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -749.343305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.343305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.343305 (E_RNA)
where:
Base-Base interactions energy: -493.967
where: short stacking energy: -213.941
Base-Backbone interact. energy: -0.210
local terms energy: -255.166831
where:
bonds (distance) C4'-P energy: -43.297
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -52.728
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -60.797
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: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -686.382304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.382304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.382304 (E_RNA)
where:
Base-Base interactions energy: -463.791
where: short stacking energy: -210.611
Base-Backbone interact. energy: -0.262
local terms energy: -222.329428
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -43.122
flat angles P-C4'-P energy: -31.214
tors. eta vs tors. theta energy: -55.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -682.977571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.977571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.977571 (E_RNA)
where:
Base-Base interactions energy: -464.385
where: short stacking energy: -181.231
Base-Backbone interact. energy: -2.512
local terms energy: -216.080813
where:
bonds (distance) C4'-P energy: -49.192
bonds (distance) P-C4' energy: -42.582
flat angles C4'-P-C4' energy: -50.334
flat angles P-C4'-P energy: -34.315
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -597.327271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.327271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.327271 (E_RNA)
where:
Base-Base interactions energy: -395.273
where: short stacking energy: -180.685
Base-Backbone interact. energy: -1.356
local terms energy: -200.698511
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -44.550
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -34.011
tors. eta vs tors. theta energy: -38.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -465.904040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.904040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.904040 (E_RNA)
where:
Base-Base interactions energy: -272.394
where: short stacking energy: -143.396
Base-Backbone interact. energy: 6.613
local terms energy: -200.122439
where:
bonds (distance) C4'-P energy: -40.230
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -28.507
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: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -374.673633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.673633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.673633 (E_RNA)
where:
Base-Base interactions energy: -210.170
where: short stacking energy: -109.326
Base-Backbone interact. energy: -1.644
local terms energy: -162.859957
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -47.778
flat angles C4'-P-C4' energy: -33.506
flat angles P-C4'-P energy: -24.238
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: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -893.916524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.916524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.916524 (E_RNA)
where:
Base-Base interactions energy: -612.994
where: short stacking energy: -260.120
Base-Backbone interact. energy: -2.664
local terms energy: -278.259172
where:
bonds (distance) C4'-P energy: -62.216
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -32.429
tors. eta vs tors. theta energy: -72.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -825.839270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.839270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.839270 (E_RNA)
where:
Base-Base interactions energy: -576.487
where: short stacking energy: -242.315
Base-Backbone interact. energy: -0.789
local terms energy: -248.563332
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -50.838
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -57.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -819.446657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.446657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.446657 (E_RNA)
where:
Base-Base interactions energy: -554.553
where: short stacking energy: -235.229
Base-Backbone interact. energy: -0.221
local terms energy: -264.672111
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -56.504
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -61.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -745.241751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.241751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.241751 (E_RNA)
where:
Base-Base interactions energy: -506.959
where: short stacking energy: -220.445
Base-Backbone interact. energy: -0.504
local terms energy: -237.778684
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -47.627
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -53.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -715.688813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.688813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.688813 (E_RNA)
where:
Base-Base interactions energy: -473.126
where: short stacking energy: -206.418
Base-Backbone interact. energy: -1.836
local terms energy: -240.726749
where:
bonds (distance) C4'-P energy: -41.478
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -54.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -719.264651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.264651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.264651 (E_RNA)
where:
Base-Base interactions energy: -480.217
where: short stacking energy: -221.731
Base-Backbone interact. energy: -0.930
local terms energy: -238.117497
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -56.880
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -59.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -628.197058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.197058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.197058 (E_RNA)
where:
Base-Base interactions energy: -412.189
where: short stacking energy: -184.872
Base-Backbone interact. energy: -1.600
local terms energy: -214.408676
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -33.759
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -569.446263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.446263 (E_RNA)
where:
Base-Base interactions energy: -383.009
where: short stacking energy: -178.552
Base-Backbone interact. energy: 0.921
local terms energy: -187.358767
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -34.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -460.318673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.318673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.318673 (E_RNA)
where:
Base-Base interactions energy: -270.953
where: short stacking energy: -134.031
Base-Backbone interact. energy: -0.073
local terms energy: -189.292867
where:
bonds (distance) C4'-P energy: -46.305
bonds (distance) P-C4' energy: -46.520
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -359.638641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.638641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.638641 (E_RNA)
where:
Base-Base interactions energy: -199.043
where: short stacking energy: -112.927
Base-Backbone interact. energy: 1.707
local terms energy: -162.302696
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -38.142
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -9.086
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -906.785816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.785816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.785816 (E_RNA)
where:
Base-Base interactions energy: -619.872
where: short stacking energy: -262.525
Base-Backbone interact. energy: -0.724
local terms energy: -286.190517
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -48.138
flat angles C4'-P-C4' energy: -60.422
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -829.279481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.279481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.279481 (E_RNA)
where:
Base-Base interactions energy: -571.766
where: short stacking energy: -241.481
Base-Backbone interact. energy: -1.613
local terms energy: -255.901043
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -62.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -815.686952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.686952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.686952 (E_RNA)
where:
Base-Base interactions energy: -549.882
where: short stacking energy: -236.453
Base-Backbone interact. energy: 0.090
local terms energy: -265.895227
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -60.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -739.480549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.480549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.480549 (E_RNA)
where:
Base-Base interactions energy: -499.352
where: short stacking energy: -206.180
Base-Backbone interact. energy: -0.607
local terms energy: -239.521523
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -53.221
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -671.620079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.620079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.620079 (E_RNA)
where:
Base-Base interactions energy: -439.729
where: short stacking energy: -202.633
Base-Backbone interact. energy: -1.741
local terms energy: -230.150357
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -55.378
flat angles C4'-P-C4' energy: -47.547
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -47.292
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: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -672.032266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.032266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.032266 (E_RNA)
where:
Base-Base interactions energy: -462.276
where: short stacking energy: -200.181
Base-Backbone interact. energy: 0.827
local terms energy: -210.583679
where:
bonds (distance) C4'-P energy: -44.909
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -49.467
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: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -633.957774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.957774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.957774 (E_RNA)
where:
Base-Base interactions energy: -413.296
where: short stacking energy: -183.519
Base-Backbone interact. energy: -1.681
local terms energy: -218.980835
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -41.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -570.392065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.392065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.392065 (E_RNA)
where:
Base-Base interactions energy: -363.234
where: short stacking energy: -171.543
Base-Backbone interact. energy: -0.612
local terms energy: -206.546465
where:
bonds (distance) C4'-P energy: -48.035
bonds (distance) P-C4' energy: -44.803
flat angles C4'-P-C4' energy: -52.393
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -37.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -442.963042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.963042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.963042 (E_RNA)
where:
Base-Base interactions energy: -273.349
where: short stacking energy: -137.065
Base-Backbone interact. energy: -1.543
local terms energy: -168.070594
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -37.575
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -358.635533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.635533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.635533 (E_RNA)
where:
Base-Base interactions energy: -199.673
where: short stacking energy: -100.527
Base-Backbone interact. energy: -0.692
local terms energy: -158.270049
where:
bonds (distance) C4'-P energy: -40.376
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -37.632
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -9.941
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: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -891.519583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.519583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.519583 (E_RNA)
where:
Base-Base interactions energy: -622.054
where: short stacking energy: -249.103
Base-Backbone interact. energy: -1.472
local terms energy: -267.993193
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -60.025
flat angles C4'-P-C4' energy: -55.868
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -68.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -843.842327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.842327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.842327 (E_RNA)
where:
Base-Base interactions energy: -578.735
where: short stacking energy: -232.576
Base-Backbone interact. energy: 0.192
local terms energy: -265.299046
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -56.789
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -54.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -793.652627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.652627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.652627 (E_RNA)
where:
Base-Base interactions energy: -532.056
where: short stacking energy: -232.878
Base-Backbone interact. energy: 0.670
local terms energy: -262.266689
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -56.547
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -63.700
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -755.720088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.720088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.720088 (E_RNA)
where:
Base-Base interactions energy: -515.287
where: short stacking energy: -220.761
Base-Backbone interact. energy: -2.383
local terms energy: -238.049985
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -42.037
flat angles C4'-P-C4' energy: -52.391
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -51.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -710.236361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.236361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.236361 (E_RNA)
where:
Base-Base interactions energy: -462.581
where: short stacking energy: -203.802
Base-Backbone interact. energy: -1.209
local terms energy: -246.446676
where:
bonds (distance) C4'-P energy: -60.114
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -54.521
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -653.097349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.097349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.097349 (E_RNA)
where:
Base-Base interactions energy: -436.181
where: short stacking energy: -187.168
Base-Backbone interact. energy: -1.088
local terms energy: -215.828997
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -46.012
flat angles C4'-P-C4' energy: -50.449
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: -45.071
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: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -643.135597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.135597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.135597 (E_RNA)
where:
Base-Base interactions energy: -422.075
where: short stacking energy: -170.479
Base-Backbone interact. energy: 0.015
local terms energy: -221.076554
where:
bonds (distance) C4'-P energy: -41.014
bonds (distance) P-C4' energy: -50.546
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -30.269
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -577.704626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.704626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.704626 (E_RNA)
where:
Base-Base interactions energy: -384.463
where: short stacking energy: -162.683
Base-Backbone interact. energy: 0.125
local terms energy: -193.366419
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -42.459
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -433.424537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.424537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.424537 (E_RNA)
where:
Base-Base interactions energy: -240.445
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.225
local terms energy: -192.754754
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -46.402
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -355.338999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.338999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.338999 (E_RNA)
where:
Base-Base interactions energy: -159.838
where: short stacking energy: -102.344
Base-Backbone interact. energy: -0.740
local terms energy: -194.761087
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -49.468
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -8.126
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: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -883.609703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.609703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.609703 (E_RNA)
where:
Base-Base interactions energy: -594.297
where: short stacking energy: -261.754
Base-Backbone interact. energy: -2.321
local terms energy: -286.991978
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -52.815
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -42.628
tors. eta vs tors. theta energy: -73.352
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: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -846.470759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.470759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.470759 (E_RNA)
where:
Base-Base interactions energy: -594.483
where: short stacking energy: -245.807
Base-Backbone interact. energy: -1.079
local terms energy: -250.908125
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -56.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -778.402567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.402567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.402567 (E_RNA)
where:
Base-Base interactions energy: -524.971
where: short stacking energy: -217.566
Base-Backbone interact. energy: -1.528
local terms energy: -251.903777
where:
bonds (distance) C4'-P energy: -47.527
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -55.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -759.406761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.406761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.406761 (E_RNA)
where:
Base-Base interactions energy: -506.586
where: short stacking energy: -225.814
Base-Backbone interact. energy: -2.068
local terms energy: -250.753167
where:
bonds (distance) C4'-P energy: -45.539
bonds (distance) P-C4' energy: -48.390
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -60.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -766.939655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.939655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.939655 (E_RNA)
where:
Base-Base interactions energy: -526.769
where: short stacking energy: -226.065
Base-Backbone interact. energy: -0.741
local terms energy: -239.430492
where:
bonds (distance) C4'-P energy: -46.573
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -55.497
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: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -643.534023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.534023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.534023 (E_RNA)
where:
Base-Base interactions energy: -427.284
where: short stacking energy: -184.337
Base-Backbone interact. energy: 1.248
local terms energy: -217.497578
where:
bonds (distance) C4'-P energy: -36.044
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -51.015
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: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -625.203970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.203970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.203970 (E_RNA)
where:
Base-Base interactions energy: -400.110
where: short stacking energy: -184.134
Base-Backbone interact. energy: -0.406
local terms energy: -224.688193
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -53.134
flat angles P-C4'-P energy: -30.829
tors. eta vs tors. theta energy: -55.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -578.766616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.766616 (E_RNA)
where:
Base-Base interactions energy: -383.323
where: short stacking energy: -162.157
Base-Backbone interact. energy: 2.539
local terms energy: -197.982198
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -43.462
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -427.317502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.317502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.317502 (E_RNA)
where:
Base-Base interactions energy: -248.171
where: short stacking energy: -104.856
Base-Backbone interact. energy: 1.444
local terms energy: -180.590660
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -323.703252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.703252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.703252 (E_RNA)
where:
Base-Base interactions energy: -179.233
where: short stacking energy: -107.199
Base-Backbone interact. energy: 2.447
local terms energy: -146.916712
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -905.830913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.830913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.830913 (E_RNA)
where:
Base-Base interactions energy: -631.098
where: short stacking energy: -253.538
Base-Backbone interact. energy: 2.372
local terms energy: -277.104873
where:
bonds (distance) C4'-P energy: -54.590
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -55.056
flat angles P-C4'-P energy: -46.738
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -824.015756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.015756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.015756 (E_RNA)
where:
Base-Base interactions energy: -571.414
where: short stacking energy: -241.380
Base-Backbone interact. energy: -2.409
local terms energy: -250.193541
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -59.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -814.535720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.535720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.535720 (E_RNA)
where:
Base-Base interactions energy: -563.182
where: short stacking energy: -239.136
Base-Backbone interact. energy: 2.431
local terms energy: -253.784849
where:
bonds (distance) C4'-P energy: -46.571
bonds (distance) P-C4' energy: -55.481
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -63.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -745.381588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.381588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.381588 (E_RNA)
where:
Base-Base interactions energy: -513.054
where: short stacking energy: -220.517
Base-Backbone interact. energy: -0.657
local terms energy: -231.670582
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -54.245
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -775.318174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.318174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.318174 (E_RNA)
where:
Base-Base interactions energy: -535.591
where: short stacking energy: -209.498
Base-Backbone interact. energy: 0.585
local terms energy: -240.312152
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -48.209
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -53.341
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: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -662.494544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.494544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.494544 (E_RNA)
where:
Base-Base interactions energy: -460.520
where: short stacking energy: -192.920
Base-Backbone interact. energy: 1.807
local terms energy: -203.781522
where:
bonds (distance) C4'-P energy: -40.622
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -43.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -571.288260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.288260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.288260 (E_RNA)
where:
Base-Base interactions energy: -361.029
where: short stacking energy: -169.773
Base-Backbone interact. energy: -1.017
local terms energy: -209.241507
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -38.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -577.845229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.845229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.845229 (E_RNA)
where:
Base-Base interactions energy: -369.769
where: short stacking energy: -149.949
Base-Backbone interact. energy: -0.827
local terms energy: -207.249269
where:
bonds (distance) C4'-P energy: -44.917
bonds (distance) P-C4' energy: -45.419
flat angles C4'-P-C4' energy: -55.454
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -420.128391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.128391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.128391 (E_RNA)
where:
Base-Base interactions energy: -232.374
where: short stacking energy: -117.546
Base-Backbone interact. energy: -1.191
local terms energy: -186.562981
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -54.637
flat angles C4'-P-C4' energy: -44.915
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -280.042964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.042964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.042964 (E_RNA)
where:
Base-Base interactions energy: -136.672
where: short stacking energy: -85.696
Base-Backbone interact. energy: -0.754
local terms energy: -142.617155
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -39.612
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -900.715837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.715837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.715837 (E_RNA)
where:
Base-Base interactions energy: -607.377
where: short stacking energy: -269.131
Base-Backbone interact. energy: 0.128
local terms energy: -293.467149
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -78.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -849.472640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.472640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.472640 (E_RNA)
where:
Base-Base interactions energy: -595.905
where: short stacking energy: -245.743
Base-Backbone interact. energy: -1.665
local terms energy: -251.902365
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -42.360
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -63.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -814.055614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.055614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.055614 (E_RNA)
where:
Base-Base interactions energy: -547.921
where: short stacking energy: -247.294
Base-Backbone interact. energy: -0.462
local terms energy: -265.672806
where:
bonds (distance) C4'-P energy: -46.573
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -49.812
flat angles P-C4'-P energy: -39.449
tors. eta vs tors. theta energy: -69.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -818.196032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.196032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.196032 (E_RNA)
where:
Base-Base interactions energy: -558.385
where: short stacking energy: -241.298
Base-Backbone interact. energy: -0.369
local terms energy: -259.441942
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -53.855
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -68.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -734.441116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.441116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.441116 (E_RNA)
where:
Base-Base interactions energy: -491.703
where: short stacking energy: -212.813
Base-Backbone interact. energy: 1.522
local terms energy: -244.259854
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -54.115
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -59.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -623.255019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.255019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.255019 (E_RNA)
where:
Base-Base interactions energy: -406.964
where: short stacking energy: -198.444
Base-Backbone interact. energy: -1.475
local terms energy: -214.816037
where:
bonds (distance) C4'-P energy: -46.163
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -50.090
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -43.104
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -601.527771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.527771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.527771 (E_RNA)
where:
Base-Base interactions energy: -388.696
where: short stacking energy: -179.835
Base-Backbone interact. energy: -1.080
local terms energy: -211.751402
where:
bonds (distance) C4'-P energy: -49.714
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -40.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -588.012511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.012511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.012511 (E_RNA)
where:
Base-Base interactions energy: -371.903
where: short stacking energy: -158.528
Base-Backbone interact. energy: -0.397
local terms energy: -215.712001
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -40.549
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -426.554782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.554782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.554782 (E_RNA)
where:
Base-Base interactions energy: -238.036
where: short stacking energy: -105.602
Base-Backbone interact. energy: -0.753
local terms energy: -187.765670
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -214.662906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.662906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.662906 (E_RNA)
where:
Base-Base interactions energy: -76.584
where: short stacking energy: -69.648
Base-Backbone interact. energy: -1.470
local terms energy: -136.609175
where:
bonds (distance) C4'-P energy: -35.515
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -46.217
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -885.376955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.376955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.376955 (E_RNA)
where:
Base-Base interactions energy: -615.575
where: short stacking energy: -259.400
Base-Backbone interact. energy: -1.275
local terms energy: -268.527457
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -60.406
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -68.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -835.899262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.899262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.899262 (E_RNA)
where:
Base-Base interactions energy: -578.983
where: short stacking energy: -235.382
Base-Backbone interact. energy: 2.756
local terms energy: -259.672211
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -55.176
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -57.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -801.772824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.772824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.772824 (E_RNA)
where:
Base-Base interactions energy: -532.896
where: short stacking energy: -226.792
Base-Backbone interact. energy: -1.222
local terms energy: -267.654675
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -61.382
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -62.580
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: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -795.317297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.317297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.317297 (E_RNA)
where:
Base-Base interactions energy: -548.451
where: short stacking energy: -225.815
Base-Backbone interact. energy: -0.924
local terms energy: -245.941444
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -53.266
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -714.233076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.233076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.233076 (E_RNA)
where:
Base-Base interactions energy: -482.588
where: short stacking energy: -217.384
Base-Backbone interact. energy: -1.722
local terms energy: -229.923526
where:
bonds (distance) C4'-P energy: -46.627
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -45.279
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -54.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -612.405084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.405084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.405084 (E_RNA)
where:
Base-Base interactions energy: -389.641
where: short stacking energy: -171.522
Base-Backbone interact. energy: -0.082
local terms energy: -222.682053
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -45.808
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -594.093450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.093450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.093450 (E_RNA)
where:
Base-Base interactions energy: -370.334
where: short stacking energy: -163.971
Base-Backbone interact. energy: -1.572
local terms energy: -222.187141
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -44.842
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -48.731
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: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -575.767165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.767165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.767165 (E_RNA)
where:
Base-Base interactions energy: -382.577
where: short stacking energy: -169.084
Base-Backbone interact. energy: -0.613
local terms energy: -192.576639
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -37.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -405.203952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.203952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.203952 (E_RNA)
where:
Base-Base interactions energy: -230.645
where: short stacking energy: -94.727
Base-Backbone interact. energy: -4.806
local terms energy: -169.753493
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -48.862
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -225.380900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.380900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.380900 (E_RNA)
where:
Base-Base interactions energy: -89.212
where: short stacking energy: -57.175
Base-Backbone interact. energy: 0.953
local terms energy: -137.122293
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -42.546
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: 10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -899.439280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.439280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.439280 (E_RNA)
where:
Base-Base interactions energy: -622.431
where: short stacking energy: -259.253
Base-Backbone interact. energy: -1.622
local terms energy: -275.386189
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -59.916
flat angles P-C4'-P energy: -33.436
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: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -820.630972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.630972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.630972 (E_RNA)
where:
Base-Base interactions energy: -560.599
where: short stacking energy: -240.244
Base-Backbone interact. energy: -2.832
local terms energy: -257.200123
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -66.355
flat angles P-C4'-P energy: -28.387
tors. eta vs tors. theta energy: -65.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -824.541384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.541384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.541384 (E_RNA)
where:
Base-Base interactions energy: -571.915
where: short stacking energy: -242.190
Base-Backbone interact. energy: -0.684
local terms energy: -251.942413
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -65.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -784.056419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.056419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.056419 (E_RNA)
where:
Base-Base interactions energy: -543.595
where: short stacking energy: -240.832
Base-Backbone interact. energy: 0.520
local terms energy: -240.981528
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -61.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -726.109543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.109543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.109543 (E_RNA)
where:
Base-Base interactions energy: -475.046
where: short stacking energy: -202.504
Base-Backbone interact. energy: -1.269
local terms energy: -249.794256
where:
bonds (distance) C4'-P energy: -51.100
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -52.523
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -55.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -632.024766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.024766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.024766 (E_RNA)
where:
Base-Base interactions energy: -405.790
where: short stacking energy: -167.948
Base-Backbone interact. energy: -0.529
local terms energy: -225.705852
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -47.206
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -44.806
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -613.492031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.492031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.492031 (E_RNA)
where:
Base-Base interactions energy: -408.567
where: short stacking energy: -187.052
Base-Backbone interact. energy: -0.857
local terms energy: -204.067500
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -42.301
flat angles P-C4'-P energy: -30.481
tors. eta vs tors. theta energy: -41.537
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: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -555.160004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.160004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.160004 (E_RNA)
where:
Base-Base interactions energy: -360.782
where: short stacking energy: -175.992
Base-Backbone interact. energy: -1.162
local terms energy: -193.215889
where:
bonds (distance) C4'-P energy: -50.623
bonds (distance) P-C4' energy: -35.684
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -36.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -334.730928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.730928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.730928 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -106.104
Base-Backbone interact. energy: 0.795
local terms energy: -167.971621
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -43.476
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -7.844
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: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -237.889222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.889222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.889222 (E_RNA)
where:
Base-Base interactions energy: -74.138
where: short stacking energy: -66.373
Base-Backbone interact. energy: -1.689
local terms energy: -162.062425
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -43.143
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -892.802298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.802298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.802298 (E_RNA)
where:
Base-Base interactions energy: -599.979
where: short stacking energy: -259.802
Base-Backbone interact. energy: -2.021
local terms energy: -290.801935
where:
bonds (distance) C4'-P energy: -56.141
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -60.634
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -71.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -837.025423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.025423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.025423 (E_RNA)
where:
Base-Base interactions energy: -586.839
where: short stacking energy: -231.634
Base-Backbone interact. energy: -2.981
local terms energy: -247.205429
where:
bonds (distance) C4'-P energy: -52.907
bonds (distance) P-C4' energy: -51.897
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -40.564
tors. eta vs tors. theta energy: -51.029
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: 38
Temperature: 1.000000
Total energy: -800.228127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.228127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.228127 (E_RNA)
where:
Base-Base interactions energy: -540.202
where: short stacking energy: -230.095
Base-Backbone interact. energy: -1.479
local terms energy: -258.547293
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -55.413
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -55.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -769.663541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.663541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.663541 (E_RNA)
where:
Base-Base interactions energy: -527.233
where: short stacking energy: -219.660
Base-Backbone interact. energy: -1.187
local terms energy: -241.242991
where:
bonds (distance) C4'-P energy: -50.078
bonds (distance) P-C4' energy: -43.940
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -57.245
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: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -667.550684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.550684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.550684 (E_RNA)
where:
Base-Base interactions energy: -435.729
where: short stacking energy: -201.301
Base-Backbone interact. energy: -1.025
local terms energy: -230.796960
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -51.934
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -40.991
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: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -648.528692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.528692 (E_RNA)
where:
Base-Base interactions energy: -425.361
where: short stacking energy: -200.468
Base-Backbone interact. energy: -0.496
local terms energy: -222.671945
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -47.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -584.784069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.784069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.784069 (E_RNA)
where:
Base-Base interactions energy: -385.199
where: short stacking energy: -182.127
Base-Backbone interact. energy: 0.398
local terms energy: -199.982588
where:
bonds (distance) C4'-P energy: -40.364
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -46.521
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -40.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -576.317901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.317901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.317901 (E_RNA)
where:
Base-Base interactions energy: -373.130
where: short stacking energy: -186.461
Base-Backbone interact. energy: -1.073
local terms energy: -202.115169
where:
bonds (distance) C4'-P energy: -50.915
bonds (distance) P-C4' energy: -36.504
flat angles C4'-P-C4' energy: -42.015
flat angles P-C4'-P energy: -30.271
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -288.057681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.057681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.057681 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -86.743
Base-Backbone interact. energy: -0.498
local terms energy: -160.436589
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -1.925
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: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -224.778386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.778386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.778386 (E_RNA)
where:
Base-Base interactions energy: -74.536
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.424
local terms energy: -149.817776
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: 4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -891.199723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.199723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.199723 (E_RNA)
where:
Base-Base interactions energy: -626.827
where: short stacking energy: -269.234
Base-Backbone interact. energy: 0.082
local terms energy: -264.455442
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -53.882
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -41.608
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: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -825.987267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.987267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.987267 (E_RNA)
where:
Base-Base interactions energy: -569.544
where: short stacking energy: -245.955
Base-Backbone interact. energy: -2.168
local terms energy: -254.275434
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -60.663
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -52.198
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -796.623524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.623524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.623524 (E_RNA)
where:
Base-Base interactions energy: -535.541
where: short stacking energy: -232.023
Base-Backbone interact. energy: -0.575
local terms energy: -260.508174
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: -66.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -791.797648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.797648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.797648 (E_RNA)
where:
Base-Base interactions energy: -531.358
where: short stacking energy: -221.075
Base-Backbone interact. energy: -0.844
local terms energy: -259.596326
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -60.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -673.730666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.730666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.730666 (E_RNA)
where:
Base-Base interactions energy: -449.146
where: short stacking energy: -203.702
Base-Backbone interact. energy: -0.909
local terms energy: -223.675603
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -645.495726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.495726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.495726 (E_RNA)
where:
Base-Base interactions energy: -415.030
where: short stacking energy: -198.357
Base-Backbone interact. energy: 2.115
local terms energy: -232.580703
where:
bonds (distance) C4'-P energy: -51.693
bonds (distance) P-C4' energy: -41.279
flat angles C4'-P-C4' energy: -46.499
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -58.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -594.270228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.270228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.270228 (E_RNA)
where:
Base-Base interactions energy: -373.467
where: short stacking energy: -164.355
Base-Backbone interact. energy: -1.263
local terms energy: -219.540335
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -51.264
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -37.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -606.002154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.002154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.002154 (E_RNA)
where:
Base-Base interactions energy: -397.157
where: short stacking energy: -180.260
Base-Backbone interact. energy: -1.184
local terms energy: -207.661273
where:
bonds (distance) C4'-P energy: -51.076
bonds (distance) P-C4' energy: -31.923
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -47.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -286.759768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.759768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.759768 (E_RNA)
where:
Base-Base interactions energy: -142.593
where: short stacking energy: -101.033
Base-Backbone interact. energy: 1.913
local terms energy: -146.079659
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -45.557
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -234.083161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.083161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.083161 (E_RNA)
where:
Base-Base interactions energy: -73.045
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.365
local terms energy: -160.673367
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -894.247035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.247035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.247035 (E_RNA)
where:
Base-Base interactions energy: -625.429
where: short stacking energy: -254.621
Base-Backbone interact. energy: 0.174
local terms energy: -268.991383
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -70.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -822.337251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.337251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.337251 (E_RNA)
where:
Base-Base interactions energy: -561.733
where: short stacking energy: -244.879
Base-Backbone interact. energy: -2.176
local terms energy: -258.428290
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -52.934
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -56.653
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -790.345535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.345535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.345535 (E_RNA)
where:
Base-Base interactions energy: -533.435
where: short stacking energy: -229.469
Base-Backbone interact. energy: -1.961
local terms energy: -254.948925
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -37.758
flat angles C4'-P-C4' energy: -57.385
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -62.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -770.326833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.326833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.326833 (E_RNA)
where:
Base-Base interactions energy: -525.708
where: short stacking energy: -219.361
Base-Backbone interact. energy: -0.600
local terms energy: -244.019037
where:
bonds (distance) C4'-P energy: -49.869
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -55.675
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -679.532651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.532651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.532651 (E_RNA)
where:
Base-Base interactions energy: -469.572
where: short stacking energy: -197.136
Base-Backbone interact. energy: -1.608
local terms energy: -208.353115
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -48.452
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -604.995576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.995576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.995576 (E_RNA)
where:
Base-Base interactions energy: -383.423
where: short stacking energy: -173.812
Base-Backbone interact. energy: -1.111
local terms energy: -220.461641
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -51.309
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -607.226150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.226150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.226150 (E_RNA)
where:
Base-Base interactions energy: -398.810
where: short stacking energy: -184.361
Base-Backbone interact. energy: 1.412
local terms energy: -209.827895
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -49.911
flat angles C4'-P-C4' energy: -48.250
flat angles P-C4'-P energy: -30.247
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: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -536.732825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.732825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.732825 (E_RNA)
where:
Base-Base interactions energy: -358.868
where: short stacking energy: -176.611
Base-Backbone interact. energy: 4.022
local terms energy: -181.887623
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -44.783
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -290.841002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.841002 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.912
local terms energy: -153.912252
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -223.903502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.903502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.903502 (E_RNA)
where:
Base-Base interactions energy: -70.034
where: short stacking energy: -60.124
Base-Backbone interact. energy: 0.194
local terms energy: -154.062971
where:
bonds (distance) C4'-P energy: -41.232
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -42.184
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: 7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -890.623665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.623665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.623665 (E_RNA)
where:
Base-Base interactions energy: -618.495
where: short stacking energy: -257.825
Base-Backbone interact. energy: -0.276
local terms energy: -271.851928
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -63.895
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -73.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -824.365666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.365666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.365666 (E_RNA)
where:
Base-Base interactions energy: -565.496
where: short stacking energy: -237.396
Base-Backbone interact. energy: -1.078
local terms energy: -257.791697
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -51.424
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -62.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -783.697803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.697803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.697803 (E_RNA)
where:
Base-Base interactions energy: -528.548
where: short stacking energy: -231.035
Base-Backbone interact. energy: 2.228
local terms energy: -257.378116
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -55.938
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -59.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -764.379385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.379385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.379385 (E_RNA)
where:
Base-Base interactions energy: -522.167
where: short stacking energy: -230.224
Base-Backbone interact. energy: -1.320
local terms energy: -240.892053
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -58.776
flat angles C4'-P-C4' energy: -47.275
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -55.027
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: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -704.602271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.602271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.602271 (E_RNA)
where:
Base-Base interactions energy: -472.120
where: short stacking energy: -199.357
Base-Backbone interact. energy: -0.250
local terms energy: -232.233032
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -54.377
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -54.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -609.657165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.657165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.657165 (E_RNA)
where:
Base-Base interactions energy: -385.053
where: short stacking energy: -168.879
Base-Backbone interact. energy: -0.503
local terms energy: -224.101093
where:
bonds (distance) C4'-P energy: -47.161
bonds (distance) P-C4' energy: -46.646
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -32.291
tors. eta vs tors. theta energy: -39.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -607.344092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.344092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.344092 (E_RNA)
where:
Base-Base interactions energy: -403.069
where: short stacking energy: -178.994
Base-Backbone interact. energy: 2.369
local terms energy: -206.644486
where:
bonds (distance) C4'-P energy: -46.394
bonds (distance) P-C4' energy: -56.389
flat angles C4'-P-C4' energy: -39.741
flat angles P-C4'-P energy: -24.468
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: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -571.489645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.489645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.489645 (E_RNA)
where:
Base-Base interactions energy: -363.696
where: short stacking energy: -178.011
Base-Backbone interact. energy: -0.985
local terms energy: -206.809158
where:
bonds (distance) C4'-P energy: -44.589
bonds (distance) P-C4' energy: -52.983
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: -28.020
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: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -301.095563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.095563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.095563 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -81.452
Base-Backbone interact. energy: 0.222
local terms energy: -165.293953
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -52.019
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -232.560350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.560350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.560350 (E_RNA)
where:
Base-Base interactions energy: -71.873
where: short stacking energy: -65.455
Base-Backbone interact. energy: 0.751
local terms energy: -161.438639
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -49.724
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -892.945569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.945569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.945569 (E_RNA)
where:
Base-Base interactions energy: -617.367
where: short stacking energy: -267.128
Base-Backbone interact. energy: -1.074
local terms energy: -274.504504
where:
bonds (distance) C4'-P energy: -47.097
bonds (distance) P-C4' energy: -49.847
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -76.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -827.980386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.980386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.980386 (E_RNA)
where:
Base-Base interactions energy: -575.241
where: short stacking energy: -250.623
Base-Backbone interact. energy: 0.930
local terms energy: -253.669052
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -34.325
tors. eta vs tors. theta energy: -64.520
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -788.249551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.249551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.249551 (E_RNA)
where:
Base-Base interactions energy: -535.267
where: short stacking energy: -229.605
Base-Backbone interact. energy: -1.786
local terms energy: -251.196911
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -51.758
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -60.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -765.136599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.136599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.136599 (E_RNA)
where:
Base-Base interactions energy: -523.492
where: short stacking energy: -231.468
Base-Backbone interact. energy: -0.559
local terms energy: -241.086182
where:
bonds (distance) C4'-P energy: -51.115
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -52.805
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -54.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -700.717594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.717594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.717594 (E_RNA)
where:
Base-Base interactions energy: -465.731
where: short stacking energy: -219.625
Base-Backbone interact. energy: -2.419
local terms energy: -232.567782
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -52.402
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -52.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -612.908705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.908705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.908705 (E_RNA)
where:
Base-Base interactions energy: -420.214
where: short stacking energy: -182.238
Base-Backbone interact. energy: 0.926
local terms energy: -193.620680
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -42.991
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -36.782
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: 42
Temperature: 1.200000
Total energy: -622.410450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.410450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.410450 (E_RNA)
where:
Base-Base interactions energy: -430.798
where: short stacking energy: -178.283
Base-Backbone interact. energy: 3.312
local terms energy: -194.925079
where:
bonds (distance) C4'-P energy: -42.076
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -41.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -577.892707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.892707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.892707 (E_RNA)
where:
Base-Base interactions energy: -378.132
where: short stacking energy: -161.270
Base-Backbone interact. energy: -3.834
local terms energy: -195.926209
where:
bonds (distance) C4'-P energy: -36.036
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -36.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -302.004955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.004955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.004955 (E_RNA)
where:
Base-Base interactions energy: -138.269
where: short stacking energy: -85.177
Base-Backbone interact. energy: -0.041
local terms energy: -163.694549
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -223.529720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.529720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529720 (E_RNA)
where:
Base-Base interactions energy: -91.708
where: short stacking energy: -67.073
Base-Backbone interact. energy: 1.332
local terms energy: -133.153076
where:
bonds (distance) C4'-P energy: -52.027
bonds (distance) P-C4' energy: -45.737
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 6.391
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: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -900.729760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.729760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.729760 (E_RNA)
where:
Base-Base interactions energy: -623.060
where: short stacking energy: -266.506
Base-Backbone interact. energy: -2.108
local terms energy: -275.561245
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -37.683
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -812.024344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.024344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.024344 (E_RNA)
where:
Base-Base interactions energy: -546.312
where: short stacking energy: -241.095
Base-Backbone interact. energy: -0.675
local terms energy: -265.037469
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -61.402
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: -64.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -787.904478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.904478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.904478 (E_RNA)
where:
Base-Base interactions energy: -510.964
where: short stacking energy: -228.828
Base-Backbone interact. energy: -0.194
local terms energy: -276.745973
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -58.159
flat angles C4'-P-C4' energy: -63.929
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -58.336
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: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -802.252996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.252996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.252996 (E_RNA)
where:
Base-Base interactions energy: -559.824
where: short stacking energy: -246.315
Base-Backbone interact. energy: 0.463
local terms energy: -242.891757
where:
bonds (distance) C4'-P energy: -46.165
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -56.299
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -60.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -683.039316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.039316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.039316 (E_RNA)
where:
Base-Base interactions energy: -452.511
where: short stacking energy: -194.146
Base-Backbone interact. energy: -0.474
local terms energy: -230.054170
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -47.778
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -48.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -629.999098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.999098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.999098 (E_RNA)
where:
Base-Base interactions energy: -398.865
where: short stacking energy: -189.333
Base-Backbone interact. energy: -0.484
local terms energy: -230.649923
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -44.745
flat angles C4'-P-C4' energy: -50.833
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -54.420
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: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -612.044628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.044628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.044628 (E_RNA)
where:
Base-Base interactions energy: -399.237
where: short stacking energy: -188.862
Base-Backbone interact. energy: -1.552
local terms energy: -211.256035
where:
bonds (distance) C4'-P energy: -40.980
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -47.869
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -38.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -582.058515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.058515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.058515 (E_RNA)
where:
Base-Base interactions energy: -388.454
where: short stacking energy: -159.821
Base-Backbone interact. energy: 6.448
local terms energy: -200.052555
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -41.337
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -38.615
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: 43
Temperature: 1.300000
Total energy: -293.394029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.394029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.394029 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -83.941
Base-Backbone interact. energy: -0.230
local terms energy: -147.460103
where:
bonds (distance) C4'-P energy: -37.148
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: 1.771
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -239.295723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.295723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.295723 (E_RNA)
where:
Base-Base interactions energy: -108.310
where: short stacking energy: -66.989
Base-Backbone interact. energy: 0.161
local terms energy: -131.147079
where:
bonds (distance) C4'-P energy: -37.514
bonds (distance) P-C4' energy: -45.081
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: 9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -887.195583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.195583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.195583 (E_RNA)
where:
Base-Base interactions energy: -617.367
where: short stacking energy: -259.624
Base-Backbone interact. energy: -1.594
local terms energy: -268.233963
where:
bonds (distance) C4'-P energy: -49.479
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -28.647
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -821.817343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.817343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.817343 (E_RNA)
where:
Base-Base interactions energy: -576.493
where: short stacking energy: -244.283
Base-Backbone interact. energy: -1.140
local terms energy: -244.184269
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -59.004
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: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -815.294350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.294350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.294350 (E_RNA)
where:
Base-Base interactions energy: -556.262
where: short stacking energy: -236.004
Base-Backbone interact. energy: -0.789
local terms energy: -258.243810
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: -64.464
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: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -769.968371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.968371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.968371 (E_RNA)
where:
Base-Base interactions energy: -515.202
where: short stacking energy: -233.600
Base-Backbone interact. energy: -1.069
local terms energy: -253.697314
where:
bonds (distance) C4'-P energy: -49.069
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -61.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -697.129978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.129978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.129978 (E_RNA)
where:
Base-Base interactions energy: -453.560
where: short stacking energy: -207.309
Base-Backbone interact. energy: -2.102
local terms energy: -241.467482
where:
bonds (distance) C4'-P energy: -56.689
bonds (distance) P-C4' energy: -50.336
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -48.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -633.586356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.586356 (E_RNA)
where:
Base-Base interactions energy: -407.736
where: short stacking energy: -177.090
Base-Backbone interact. energy: 2.041
local terms energy: -227.890764
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -47.618
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -47.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -591.285304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.285304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.285304 (E_RNA)
where:
Base-Base interactions energy: -376.976
where: short stacking energy: -182.409
Base-Backbone interact. energy: -0.539
local terms energy: -213.770128
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -43.294
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -619.823886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.823886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.823886 (E_RNA)
where:
Base-Base interactions energy: -412.803
where: short stacking energy: -170.258
Base-Backbone interact. energy: -1.625
local terms energy: -205.395417
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -38.862
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: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -293.008379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.008379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.008379 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -65.622
Base-Backbone interact. energy: 3.571
local terms energy: -156.318874
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -43.790
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: 5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -225.708919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.708919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.708919 (E_RNA)
where:
Base-Base interactions energy: -67.691
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.309
local terms energy: -157.708454
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -50.339
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -891.099762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.099762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.099762 (E_RNA)
where:
Base-Base interactions energy: -604.200
where: short stacking energy: -252.872
Base-Backbone interact. energy: -1.836
local terms energy: -285.063409
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: -73.584
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: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -847.244778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.244778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.244778 (E_RNA)
where:
Base-Base interactions energy: -584.015
where: short stacking energy: -258.437
Base-Backbone interact. energy: -0.551
local terms energy: -262.678755
where:
bonds (distance) C4'-P energy: -40.830
bonds (distance) P-C4' energy: -54.739
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -70.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -803.487686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.487686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.487686 (E_RNA)
where:
Base-Base interactions energy: -556.545
where: short stacking energy: -258.348
Base-Backbone interact. energy: -1.315
local terms energy: -245.627342
where:
bonds (distance) C4'-P energy: -50.695
bonds (distance) P-C4' energy: -49.143
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -66.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -777.924283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.924283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.924283 (E_RNA)
where:
Base-Base interactions energy: -527.240
where: short stacking energy: -223.650
Base-Backbone interact. energy: -1.131
local terms energy: -249.553237
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -39.812
tors. eta vs tors. theta energy: -54.980
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: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -720.366591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.366591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.366591 (E_RNA)
where:
Base-Base interactions energy: -478.413
where: short stacking energy: -226.662
Base-Backbone interact. energy: -1.100
local terms energy: -240.853545
where:
bonds (distance) C4'-P energy: -42.663
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -50.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -632.933694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.933694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.933694 (E_RNA)
where:
Base-Base interactions energy: -429.447
where: short stacking energy: -182.069
Base-Backbone interact. energy: -2.316
local terms energy: -201.170678
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -47.869
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -37.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -602.554656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.554656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.554656 (E_RNA)
where:
Base-Base interactions energy: -381.546
where: short stacking energy: -178.942
Base-Backbone interact. energy: 1.081
local terms energy: -222.088960
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -40.877
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: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -604.563233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.563233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.563233 (E_RNA)
where:
Base-Base interactions energy: -378.105
where: short stacking energy: -172.110
Base-Backbone interact. energy: -0.237
local terms energy: -226.220474
where:
bonds (distance) C4'-P energy: -56.204
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -49.577
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -39.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -304.854940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.854940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.854940 (E_RNA)
where:
Base-Base interactions energy: -163.105
where: short stacking energy: -88.701
Base-Backbone interact. energy: 3.726
local terms energy: -145.475999
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -32.093
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -230.023374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.023374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.023374 (E_RNA)
where:
Base-Base interactions energy: -87.474
where: short stacking energy: -69.165
Base-Backbone interact. energy: 0.148
local terms energy: -142.698015
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: 2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -918.268068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.268068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.268068 (E_RNA)
where:
Base-Base interactions energy: -637.808
where: short stacking energy: -261.882
Base-Backbone interact. energy: -1.358
local terms energy: -279.101496
where:
bonds (distance) C4'-P energy: -58.859
bonds (distance) P-C4' energy: -51.451
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -65.836
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: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -841.987348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.987348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.987348 (E_RNA)
where:
Base-Base interactions energy: -578.746
where: short stacking energy: -256.589
Base-Backbone interact. energy: -1.385
local terms energy: -261.856043
where:
bonds (distance) C4'-P energy: -49.594
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -63.256
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: -64.322
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: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -829.883083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.883083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.883083 (E_RNA)
where:
Base-Base interactions energy: -565.582
where: short stacking energy: -241.153
Base-Backbone interact. energy: -0.736
local terms energy: -263.564972
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -51.230
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -63.435
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: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -785.751674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.751674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.751674 (E_RNA)
where:
Base-Base interactions energy: -557.351
where: short stacking energy: -231.754
Base-Backbone interact. energy: -1.109
local terms energy: -227.291531
where:
bonds (distance) C4'-P energy: -47.205
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -712.881271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.881271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.881271 (E_RNA)
where:
Base-Base interactions energy: -480.129
where: short stacking energy: -210.962
Base-Backbone interact. energy: 0.878
local terms energy: -233.630469
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -49.003
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -621.907145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.907145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.907145 (E_RNA)
where:
Base-Base interactions energy: -387.686
where: short stacking energy: -190.942
Base-Backbone interact. energy: -3.304
local terms energy: -230.917334
where:
bonds (distance) C4'-P energy: -56.278
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -56.050
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -602.908559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.908559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.908559 (E_RNA)
where:
Base-Base interactions energy: -384.264
where: short stacking energy: -183.824
Base-Backbone interact. energy: -1.348
local terms energy: -217.296652
where:
bonds (distance) C4'-P energy: -45.439
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -545.690653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.690653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.690653 (E_RNA)
where:
Base-Base interactions energy: -366.124
where: short stacking energy: -149.437
Base-Backbone interact. energy: 0.016
local terms energy: -179.582429
where:
bonds (distance) C4'-P energy: -34.338
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -21.658
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: 46
Temperature: 1.300000
Total energy: -310.084789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.084789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.084789 (E_RNA)
where:
Base-Base interactions energy: -153.067
where: short stacking energy: -96.960
Base-Backbone interact. energy: 0.862
local terms energy: -157.880058
where:
bonds (distance) C4'-P energy: -46.283
bonds (distance) P-C4' energy: -37.682
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -235.632857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.632857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.632857 (E_RNA)
where:
Base-Base interactions energy: -90.429
where: short stacking energy: -89.420
Base-Backbone interact. energy: -1.220
local terms energy: -143.984108
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -43.898
flat angles C4'-P-C4' energy: -44.102
flat angles P-C4'-P energy: -20.689
tors. eta vs tors. theta energy: -5.828
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: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -909.485193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.485193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.485193 (E_RNA)
where:
Base-Base interactions energy: -629.056
where: short stacking energy: -259.314
Base-Backbone interact. energy: -1.405
local terms energy: -279.024620
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -44.726
tors. eta vs tors. theta energy: -74.695
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: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -843.838074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.838074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.838074 (E_RNA)
where:
Base-Base interactions energy: -584.885
where: short stacking energy: -256.676
Base-Backbone interact. energy: -0.845
local terms energy: -258.108483
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -56.120
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -37.546
tors. eta vs tors. theta energy: -53.577
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -818.194322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.194322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.194322 (E_RNA)
where:
Base-Base interactions energy: -566.729
where: short stacking energy: -242.119
Base-Backbone interact. energy: -0.233
local terms energy: -251.232294
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -51.132
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -62.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -777.319470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.319470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.319470 (E_RNA)
where:
Base-Base interactions energy: -534.075
where: short stacking energy: -214.340
Base-Backbone interact. energy: -0.653
local terms energy: -242.590764
where:
bonds (distance) C4'-P energy: -48.212
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -54.508
flat angles P-C4'-P energy: -30.591
tors. eta vs tors. theta energy: -63.008
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: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -721.379228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.379228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.379228 (E_RNA)
where:
Base-Base interactions energy: -490.222
where: short stacking energy: -204.495
Base-Backbone interact. energy: 0.248
local terms energy: -231.405739
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: -52.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -619.016434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.016434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.016434 (E_RNA)
where:
Base-Base interactions energy: -404.868
where: short stacking energy: -185.094
Base-Backbone interact. energy: -0.650
local terms energy: -213.498295
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -576.747885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.747885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.747885 (E_RNA)
where:
Base-Base interactions energy: -366.286
where: short stacking energy: -145.370
Base-Backbone interact. energy: -2.253
local terms energy: -208.208952
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -42.705
flat angles C4'-P-C4' energy: -52.033
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -561.377380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.377380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.377380 (E_RNA)
where:
Base-Base interactions energy: -354.816
where: short stacking energy: -162.647
Base-Backbone interact. energy: -0.274
local terms energy: -206.287043
where:
bonds (distance) C4'-P energy: -38.304
bonds (distance) P-C4' energy: -50.279
flat angles C4'-P-C4' energy: -44.420
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -337.683849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.683849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.683849 (E_RNA)
where:
Base-Base interactions energy: -179.531
where: short stacking energy: -111.873
Base-Backbone interact. energy: 0.159
local terms energy: -158.311759
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -229.010236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.010236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.010236 (E_RNA)
where:
Base-Base interactions energy: -101.799
where: short stacking energy: -70.363
Base-Backbone interact. energy: 0.181
local terms energy: -127.392362
where:
bonds (distance) C4'-P energy: -36.504
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -19.609
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: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -894.358491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.358491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.358491 (E_RNA)
where:
Base-Base interactions energy: -611.220
where: short stacking energy: -253.732
Base-Backbone interact. energy: 2.181
local terms energy: -285.319830
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -69.010
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -857.837626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.837626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.837626 (E_RNA)
where:
Base-Base interactions energy: -598.453
where: short stacking energy: -239.360
Base-Backbone interact. energy: -1.452
local terms energy: -257.932058
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -56.083
flat angles P-C4'-P energy: -38.892
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: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -822.574621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.574621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.574621 (E_RNA)
where:
Base-Base interactions energy: -559.025
where: short stacking energy: -243.819
Base-Backbone interact. energy: -0.716
local terms energy: -262.833235
where:
bonds (distance) C4'-P energy: -52.390
bonds (distance) P-C4' energy: -62.266
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -33.408
tors. eta vs tors. theta energy: -55.674
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: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -750.737714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.737714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.737714 (E_RNA)
where:
Base-Base interactions energy: -509.963
where: short stacking energy: -227.246
Base-Backbone interact. energy: -2.432
local terms energy: -238.342743
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: -59.628
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: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -705.765728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.765728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.765728 (E_RNA)
where:
Base-Base interactions energy: -471.220
where: short stacking energy: -211.202
Base-Backbone interact. energy: -0.396
local terms energy: -234.149724
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -49.636
flat angles P-C4'-P energy: -37.254
tors. eta vs tors. theta energy: -47.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -632.258839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.258839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.258839 (E_RNA)
where:
Base-Base interactions energy: -418.254
where: short stacking energy: -184.796
Base-Backbone interact. energy: -1.113
local terms energy: -212.892096
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -42.486
flat angles C4'-P-C4' energy: -53.772
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -39.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -580.027248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.027248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.027248 (E_RNA)
where:
Base-Base interactions energy: -369.012
where: short stacking energy: -167.269
Base-Backbone interact. energy: -0.242
local terms energy: -210.773236
where:
bonds (distance) C4'-P energy: -44.569
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -49.130
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -40.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -577.293599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.293599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.293599 (E_RNA)
where:
Base-Base interactions energy: -376.198
where: short stacking energy: -168.589
Base-Backbone interact. energy: 0.227
local terms energy: -201.322470
where:
bonds (distance) C4'-P energy: -47.204
bonds (distance) P-C4' energy: -47.088
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -33.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -302.200949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.200949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.200949 (E_RNA)
where:
Base-Base interactions energy: -138.209
where: short stacking energy: -75.899
Base-Backbone interact. energy: -2.696
local terms energy: -161.295679
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -224.048788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.048788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.048788 (E_RNA)
where:
Base-Base interactions energy: -101.833
where: short stacking energy: -85.036
Base-Backbone interact. energy: -0.310
local terms energy: -121.906372
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -903.996773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.996773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.996773 (E_RNA)
where:
Base-Base interactions energy: -639.066
where: short stacking energy: -263.817
Base-Backbone interact. energy: -1.075
local terms energy: -263.855395
where:
bonds (distance) C4'-P energy: -50.781
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -74.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -835.923450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.923450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.923450 (E_RNA)
where:
Base-Base interactions energy: -581.467
where: short stacking energy: -238.254
Base-Backbone interact. energy: -0.095
local terms energy: -254.361981
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -55.498
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -62.980
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: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -801.948215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.948215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.948215 (E_RNA)
where:
Base-Base interactions energy: -545.509
where: short stacking energy: -231.093
Base-Backbone interact. energy: -0.720
local terms energy: -255.719450
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -58.572
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -59.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -756.306709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.306709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.306709 (E_RNA)
where:
Base-Base interactions energy: -506.113
where: short stacking energy: -213.866
Base-Backbone interact. energy: -0.946
local terms energy: -249.248470
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -55.114
flat angles P-C4'-P energy: -38.635
tors. eta vs tors. theta energy: -58.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -721.788369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.788369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.788369 (E_RNA)
where:
Base-Base interactions energy: -476.235
where: short stacking energy: -201.857
Base-Backbone interact. energy: -0.349
local terms energy: -245.204414
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -48.354
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -61.868
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -664.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.667298 (E_RNA)
where:
Base-Base interactions energy: -421.656
where: short stacking energy: -195.799
Base-Backbone interact. energy: 0.337
local terms energy: -243.349131
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -55.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -576.298714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.298714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.298714 (E_RNA)
where:
Base-Base interactions energy: -384.454
where: short stacking energy: -164.414
Base-Backbone interact. energy: -1.292
local terms energy: -190.552402
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -43.363
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -37.557
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: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -566.487524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.487524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.487524 (E_RNA)
where:
Base-Base interactions energy: -364.432
where: short stacking energy: -156.917
Base-Backbone interact. energy: -0.542
local terms energy: -201.513267
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -48.575
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -35.065
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: 49
Temperature: 1.300000
Total energy: -300.927374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.927374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.927374 (E_RNA)
where:
Base-Base interactions energy: -135.820
where: short stacking energy: -91.544
Base-Backbone interact. energy: -1.890
local terms energy: -163.217376
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -38.327
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -229.289894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.289894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.289894 (E_RNA)
where:
Base-Base interactions energy: -89.072
where: short stacking energy: -66.758
Base-Backbone interact. energy: 3.257
local terms energy: -143.474853
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -911.805872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.805872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.805872 (E_RNA)
where:
Base-Base interactions energy: -643.529
where: short stacking energy: -252.537
Base-Backbone interact. energy: 0.100
local terms energy: -268.377035
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -61.437
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -70.075
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: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -827.307803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.307803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.307803 (E_RNA)
where:
Base-Base interactions energy: -564.805
where: short stacking energy: -248.304
Base-Backbone interact. energy: 0.351
local terms energy: -262.853203
where:
bonds (distance) C4'-P energy: -56.907
bonds (distance) P-C4' energy: -56.673
flat angles C4'-P-C4' energy: -55.715
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -58.195
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: 50
Temperature: 1.000000
Total energy: -794.472596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.472596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.472596 (E_RNA)
where:
Base-Base interactions energy: -535.249
where: short stacking energy: -241.906
Base-Backbone interact. energy: 0.781
local terms energy: -260.004046
where:
bonds (distance) C4'-P energy: -54.496
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -54.409
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -58.089
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: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -782.727191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.727191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.727191 (E_RNA)
where:
Base-Base interactions energy: -541.339
where: short stacking energy: -234.484
Base-Backbone interact. energy: -0.695
local terms energy: -240.693498
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -28.750
tors. eta vs tors. theta energy: -58.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -679.773677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.773677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.773677 (E_RNA)
where:
Base-Base interactions energy: -467.715
where: short stacking energy: -208.312
Base-Backbone interact. energy: -0.516
local terms energy: -211.542700
where:
bonds (distance) C4'-P energy: -42.780
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -652.656400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.656400 (E_RNA)
where:
Base-Base interactions energy: -437.311
where: short stacking energy: -188.101
Base-Backbone interact. energy: 2.195
local terms energy: -217.540370
where:
bonds (distance) C4'-P energy: -36.647
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -57.851
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -51.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -598.059872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.059872 (E_RNA)
where:
Base-Base interactions energy: -399.700
where: short stacking energy: -203.719
Base-Backbone interact. energy: -0.210
local terms energy: -198.149600
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -53.332
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -47.603
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -563.632723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.632723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.632723 (E_RNA)
where:
Base-Base interactions energy: -359.872
where: short stacking energy: -170.232
Base-Backbone interact. energy: -0.708
local terms energy: -203.052848
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -46.149
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -40.787
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: 50
Temperature: 1.300000
Total energy: -334.486904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.486904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.486904 (E_RNA)
where:
Base-Base interactions energy: -164.016
where: short stacking energy: -112.292
Base-Backbone interact. energy: -2.194
local terms energy: -168.276881
where:
bonds (distance) C4'-P energy: -36.654
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -47.598
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -223.853359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.853359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.853359 (E_RNA)
where:
Base-Base interactions energy: -83.279
where: short stacking energy: -73.700
Base-Backbone interact. energy: 2.559
local terms energy: -143.132896
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -37.265
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -0.955
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: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -896.269781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.269781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.269781 (E_RNA)
where:
Base-Base interactions energy: -629.008
where: short stacking energy: -264.306
Base-Backbone interact. energy: -0.669
local terms energy: -266.592930
where:
bonds (distance) C4'-P energy: -45.568
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -71.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -828.712672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.712672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.712672 (E_RNA)
where:
Base-Base interactions energy: -552.562
where: short stacking energy: -241.676
Base-Backbone interact. energy: 0.168
local terms energy: -276.318496
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -63.561
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -69.268
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: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -787.317308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.317308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.317308 (E_RNA)
where:
Base-Base interactions energy: -524.669
where: short stacking energy: -221.644
Base-Backbone interact. energy: 0.814
local terms energy: -263.462698
where:
bonds (distance) C4'-P energy: -49.530
bonds (distance) P-C4' energy: -56.200
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -62.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -792.462678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.462678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.462678 (E_RNA)
where:
Base-Base interactions energy: -545.278
where: short stacking energy: -220.993
Base-Backbone interact. energy: -1.220
local terms energy: -245.964484
where:
bonds (distance) C4'-P energy: -44.865
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -60.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -737.194065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.194065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.194065 (E_RNA)
where:
Base-Base interactions energy: -499.446
where: short stacking energy: -202.393
Base-Backbone interact. energy: -0.594
local terms energy: -237.154482
where:
bonds (distance) C4'-P energy: -47.933
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -56.149
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: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -602.537458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.537458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.537458 (E_RNA)
where:
Base-Base interactions energy: -405.200
where: short stacking energy: -174.476
Base-Backbone interact. energy: -0.354
local terms energy: -196.983839
where:
bonds (distance) C4'-P energy: -45.898
bonds (distance) P-C4' energy: -43.415
flat angles C4'-P-C4' energy: -46.239
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -30.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -607.578412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.578412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.578412 (E_RNA)
where:
Base-Base interactions energy: -392.359
where: short stacking energy: -185.227
Base-Backbone interact. energy: -0.929
local terms energy: -214.290693
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -39.654
tors. eta vs tors. theta energy: -41.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -543.719880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.719880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.719880 (E_RNA)
where:
Base-Base interactions energy: -356.397
where: short stacking energy: -164.297
Base-Backbone interact. energy: 0.035
local terms energy: -187.358277
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -50.812
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -22.953
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: 51
Temperature: 1.300000
Total energy: -332.979936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.979936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.979936 (E_RNA)
where:
Base-Base interactions energy: -171.151
where: short stacking energy: -96.099
Base-Backbone interact. energy: -0.854
local terms energy: -160.975724
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -238.806533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.806533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.806533 (E_RNA)
where:
Base-Base interactions energy: -92.744
where: short stacking energy: -68.472
Base-Backbone interact. energy: -2.023
local terms energy: -144.039577
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -898.073769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.073769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.073769 (E_RNA)
where:
Base-Base interactions energy: -622.596
where: short stacking energy: -255.847
Base-Backbone interact. energy: -1.701
local terms energy: -273.777227
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -57.395
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -70.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -827.420476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.420476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.420476 (E_RNA)
where:
Base-Base interactions energy: -560.445
where: short stacking energy: -251.889
Base-Backbone interact. energy: 1.302
local terms energy: -268.277871
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -68.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -794.419519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.419519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.419519 (E_RNA)
where:
Base-Base interactions energy: -528.461
where: short stacking energy: -233.308
Base-Backbone interact. energy: -0.283
local terms energy: -265.674772
where:
bonds (distance) C4'-P energy: -53.319
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -60.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -790.015542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.015542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.015542 (E_RNA)
where:
Base-Base interactions energy: -535.962
where: short stacking energy: -238.517
Base-Backbone interact. energy: 1.582
local terms energy: -255.635518
where:
bonds (distance) C4'-P energy: -49.438
bonds (distance) P-C4' energy: -54.130
flat angles C4'-P-C4' energy: -54.931
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -60.459
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: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -732.916327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.916327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.916327 (E_RNA)
where:
Base-Base interactions energy: -494.790
where: short stacking energy: -205.944
Base-Backbone interact. energy: -0.934
local terms energy: -237.192257
where:
bonds (distance) C4'-P energy: -47.318
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -603.260909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.260909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.260909 (E_RNA)
where:
Base-Base interactions energy: -385.246
where: short stacking energy: -179.602
Base-Backbone interact. energy: 0.127
local terms energy: -218.141952
where:
bonds (distance) C4'-P energy: -43.985
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -50.378
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -39.867
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -610.288088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.288088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.288088 (E_RNA)
where:
Base-Base interactions energy: -389.380
where: short stacking energy: -184.367
Base-Backbone interact. energy: 0.890
local terms energy: -221.798827
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -58.220
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -594.396031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.396031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.396031 (E_RNA)
where:
Base-Base interactions energy: -392.153
where: short stacking energy: -178.267
Base-Backbone interact. energy: -0.292
local terms energy: -201.951237
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: -40.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -307.369259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.369259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.369259 (E_RNA)
where:
Base-Base interactions energy: -135.481
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.032
local terms energy: -171.855392
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -52.226
flat angles C4'-P-C4' energy: -41.094
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -8.318
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -222.168016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168016 (E_RNA)
where:
Base-Base interactions energy: -77.692
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.412
local terms energy: -144.064857
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -34.351
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -920.081738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.081738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.081738 (E_RNA)
where:
Base-Base interactions energy: -620.978
where: short stacking energy: -269.622
Base-Backbone interact. energy: -3.367
local terms energy: -295.736566
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -58.069
flat angles C4'-P-C4' energy: -60.881
flat angles P-C4'-P energy: -46.276
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: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -812.667111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.667111 (E_RNA)
where:
Base-Base interactions energy: -552.988
where: short stacking energy: -239.313
Base-Backbone interact. energy: -0.712
local terms energy: -258.966234
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -50.807
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -59.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -828.790024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.790024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.790024 (E_RNA)
where:
Base-Base interactions energy: -579.113
where: short stacking energy: -255.124
Base-Backbone interact. energy: -1.098
local terms energy: -248.579740
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -57.887
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: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -802.085830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.085830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.085830 (E_RNA)
where:
Base-Base interactions energy: -552.733
where: short stacking energy: -236.062
Base-Backbone interact. energy: -0.833
local terms energy: -248.520104
where:
bonds (distance) C4'-P energy: -47.427
bonds (distance) P-C4' energy: -46.786
flat angles C4'-P-C4' energy: -48.000
flat angles P-C4'-P energy: -40.441
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -707.717487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.717487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.717487 (E_RNA)
where:
Base-Base interactions energy: -462.741
where: short stacking energy: -212.061
Base-Backbone interact. energy: -1.048
local terms energy: -243.929347
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -53.909
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -57.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -640.770352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.770352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.770352 (E_RNA)
where:
Base-Base interactions energy: -405.146
where: short stacking energy: -189.583
Base-Backbone interact. energy: -1.798
local terms energy: -233.826309
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -38.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -627.035077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.035077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.035077 (E_RNA)
where:
Base-Base interactions energy: -406.252
where: short stacking energy: -181.461
Base-Backbone interact. energy: -1.729
local terms energy: -219.054224
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -586.886157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.886157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.886157 (E_RNA)
where:
Base-Base interactions energy: -391.548
where: short stacking energy: -178.751
Base-Backbone interact. energy: 0.342
local terms energy: -195.679903
where:
bonds (distance) C4'-P energy: -42.720
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -36.448
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: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -290.978450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.978450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.978450 (E_RNA)
where:
Base-Base interactions energy: -137.984
where: short stacking energy: -75.465
Base-Backbone interact. energy: -1.259
local terms energy: -151.735461
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -42.835
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: 1.535
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -232.153119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.153119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.153119 (E_RNA)
where:
Base-Base interactions energy: -82.731
where: short stacking energy: -71.137
Base-Backbone interact. energy: 2.625
local terms energy: -152.047338
where:
bonds (distance) C4'-P energy: -47.596
bonds (distance) P-C4' energy: -47.758
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: 7.663
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: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -908.235346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.235346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.235346 (E_RNA)
where:
Base-Base interactions energy: -622.942
where: short stacking energy: -265.397
Base-Backbone interact. energy: -0.820
local terms energy: -284.472913
where:
bonds (distance) C4'-P energy: -60.963
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -60.439
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -73.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -816.412462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.412462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.412462 (E_RNA)
where:
Base-Base interactions energy: -560.100
where: short stacking energy: -241.967
Base-Backbone interact. energy: -1.023
local terms energy: -255.289334
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -56.195
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -58.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -834.408001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.408001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.408001 (E_RNA)
where:
Base-Base interactions energy: -588.811
where: short stacking energy: -261.395
Base-Backbone interact. energy: -0.585
local terms energy: -245.011290
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -47.492
flat angles C4'-P-C4' energy: -56.386
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -62.975
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -796.976655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.976655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.976655 (E_RNA)
where:
Base-Base interactions energy: -543.414
where: short stacking energy: -236.421
Base-Backbone interact. energy: -1.884
local terms energy: -251.679004
where:
bonds (distance) C4'-P energy: -45.015
bonds (distance) P-C4' energy: -46.694
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -68.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -717.630225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.630225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.630225 (E_RNA)
where:
Base-Base interactions energy: -475.497
where: short stacking energy: -211.108
Base-Backbone interact. energy: -0.288
local terms energy: -241.845178
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -54.306
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -61.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -623.717618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.717618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.717618 (E_RNA)
where:
Base-Base interactions energy: -400.886
where: short stacking energy: -179.144
Base-Backbone interact. energy: -1.003
local terms energy: -221.828474
where:
bonds (distance) C4'-P energy: -46.943
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: -44.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -595.392673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.392673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.392673 (E_RNA)
where:
Base-Base interactions energy: -375.824
where: short stacking energy: -169.268
Base-Backbone interact. energy: -2.128
local terms energy: -217.440408
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -44.614
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: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -598.322980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.322980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.322980 (E_RNA)
where:
Base-Base interactions energy: -388.597
where: short stacking energy: -175.989
Base-Backbone interact. energy: 1.750
local terms energy: -211.475734
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -337.754979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.754979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.754979 (E_RNA)
where:
Base-Base interactions energy: -164.174
where: short stacking energy: -111.450
Base-Backbone interact. energy: 2.254
local terms energy: -175.835524
where:
bonds (distance) C4'-P energy: -41.995
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -218.967505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.967505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.967505 (E_RNA)
where:
Base-Base interactions energy: -85.809
where: short stacking energy: -63.035
Base-Backbone interact. energy: 2.344
local terms energy: -135.502747
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -42.020
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: 6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -900.847938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.847938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.847938 (E_RNA)
where:
Base-Base interactions energy: -624.084
where: short stacking energy: -255.845
Base-Backbone interact. energy: -1.232
local terms energy: -275.531754
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -39.561
tors. eta vs tors. theta energy: -73.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -857.287620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.287620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.287620 (E_RNA)
where:
Base-Base interactions energy: -591.774
where: short stacking energy: -258.451
Base-Backbone interact. energy: -1.690
local terms energy: -263.824010
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -55.334
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -66.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -804.815214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.815214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.815214 (E_RNA)
where:
Base-Base interactions energy: -556.016
where: short stacking energy: -240.392
Base-Backbone interact. energy: -1.751
local terms energy: -247.048114
where:
bonds (distance) C4'-P energy: -51.198
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -55.402
flat angles P-C4'-P energy: -33.994
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -778.012959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.012959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.012959 (E_RNA)
where:
Base-Base interactions energy: -532.325
where: short stacking energy: -226.616
Base-Backbone interact. energy: 0.699
local terms energy: -246.386579
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -55.687
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -63.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -740.183820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.183820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.183820 (E_RNA)
where:
Base-Base interactions energy: -496.968
where: short stacking energy: -237.623
Base-Backbone interact. energy: -0.539
local terms energy: -242.677655
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -55.898
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -65.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -650.094073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.094073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.094073 (E_RNA)
where:
Base-Base interactions energy: -435.958
where: short stacking energy: -211.932
Base-Backbone interact. energy: -0.479
local terms energy: -213.657635
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -40.198
flat angles C4'-P-C4' energy: -48.167
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -60.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -605.622966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.622966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.622966 (E_RNA)
where:
Base-Base interactions energy: -398.705
where: short stacking energy: -181.941
Base-Backbone interact. energy: 0.840
local terms energy: -207.757818
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -600.689127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.689127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.689127 (E_RNA)
where:
Base-Base interactions energy: -387.177
where: short stacking energy: -176.574
Base-Backbone interact. energy: -0.299
local terms energy: -213.213631
where:
bonds (distance) C4'-P energy: -53.257
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -39.446
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -45.190
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: 55
Temperature: 1.300000
Total energy: -311.534992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.534992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.534992 (E_RNA)
where:
Base-Base interactions energy: -148.328
where: short stacking energy: -95.050
Base-Backbone interact. energy: -0.972
local terms energy: -162.235589
where:
bonds (distance) C4'-P energy: -43.142
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -43.594
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: 0.106
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -222.644966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.644966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.644966 (E_RNA)
where:
Base-Base interactions energy: -77.083
where: short stacking energy: -76.237
Base-Backbone interact. energy: 0.169
local terms energy: -145.731607
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -48.066
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: 5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -881.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.187432 (E_RNA)
where:
Base-Base interactions energy: -610.452
where: short stacking energy: -244.066
Base-Backbone interact. energy: -0.921
local terms energy: -269.814563
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -54.523
flat angles C4'-P-C4' energy: -63.186
flat angles P-C4'-P energy: -33.030
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: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -853.254478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.254478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.254478 (E_RNA)
where:
Base-Base interactions energy: -567.638
where: short stacking energy: -247.867
Base-Backbone interact. energy: -0.380
local terms energy: -285.236150
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -58.011
flat angles C4'-P-C4' energy: -61.353
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -69.799
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -797.908035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.908035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.908035 (E_RNA)
where:
Base-Base interactions energy: -544.526
where: short stacking energy: -228.409
Base-Backbone interact. energy: -0.571
local terms energy: -252.811444
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -58.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -782.306354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.306354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.306354 (E_RNA)
where:
Base-Base interactions energy: -539.051
where: short stacking energy: -228.901
Base-Backbone interact. energy: 2.373
local terms energy: -245.628962
where:
bonds (distance) C4'-P energy: -52.385
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -49.880
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -57.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -736.644304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.644304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.644304 (E_RNA)
where:
Base-Base interactions energy: -482.384
where: short stacking energy: -231.445
Base-Backbone interact. energy: -1.303
local terms energy: -252.956580
where:
bonds (distance) C4'-P energy: -48.445
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -41.810
tors. eta vs tors. theta energy: -53.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -658.260859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.260859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.260859 (E_RNA)
where:
Base-Base interactions energy: -420.013
where: short stacking energy: -184.020
Base-Backbone interact. energy: -0.739
local terms energy: -237.508878
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -52.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -576.316864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.316864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.316864 (E_RNA)
where:
Base-Base interactions energy: -369.912
where: short stacking energy: -151.409
Base-Backbone interact. energy: -1.653
local terms energy: -204.751122
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -36.312
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -533.867335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.867335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.867335 (E_RNA)
where:
Base-Base interactions energy: -325.758
where: short stacking energy: -149.504
Base-Backbone interact. energy: -1.204
local terms energy: -206.905020
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -311.286701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.286701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.286701 (E_RNA)
where:
Base-Base interactions energy: -154.390
where: short stacking energy: -91.361
Base-Backbone interact. energy: -1.048
local terms energy: -155.848675
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -43.810
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -221.956455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.956455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.956455 (E_RNA)
where:
Base-Base interactions energy: -87.595
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.407
local terms energy: -133.954857
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: 8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -868.081321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.081321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.081321 (E_RNA)
where:
Base-Base interactions energy: -594.542
where: short stacking energy: -245.676
Base-Backbone interact. energy: 0.280
local terms energy: -273.819657
where:
bonds (distance) C4'-P energy: -56.533
bonds (distance) P-C4' energy: -60.218
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -35.533
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: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -855.621094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.621094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.621094 (E_RNA)
where:
Base-Base interactions energy: -587.020
where: short stacking energy: -259.306
Base-Backbone interact. energy: -1.991
local terms energy: -266.609249
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -59.076
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -70.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -807.514899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.514899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.514899 (E_RNA)
where:
Base-Base interactions energy: -551.026
where: short stacking energy: -226.410
Base-Backbone interact. energy: -0.167
local terms energy: -256.322156
where:
bonds (distance) C4'-P energy: -50.200
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -59.284
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -62.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -737.094140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.094140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.094140 (E_RNA)
where:
Base-Base interactions energy: -480.249
where: short stacking energy: -233.145
Base-Backbone interact. energy: -1.101
local terms energy: -255.743462
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -63.104
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: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -734.650631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.650631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.650631 (E_RNA)
where:
Base-Base interactions energy: -494.123
where: short stacking energy: -232.631
Base-Backbone interact. energy: 0.919
local terms energy: -241.446486
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -57.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -644.378681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.378681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.378681 (E_RNA)
where:
Base-Base interactions energy: -424.091
where: short stacking energy: -205.643
Base-Backbone interact. energy: -0.260
local terms energy: -220.028175
where:
bonds (distance) C4'-P energy: -42.960
bonds (distance) P-C4' energy: -38.396
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -62.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -615.729282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.729282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.729282 (E_RNA)
where:
Base-Base interactions energy: -396.924
where: short stacking energy: -186.599
Base-Backbone interact. energy: -0.865
local terms energy: -217.940514
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -36.390
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -551.474204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.474204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.474204 (E_RNA)
where:
Base-Base interactions energy: -358.259
where: short stacking energy: -157.760
Base-Backbone interact. energy: -1.402
local terms energy: -191.812585
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -42.542
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -30.129
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: 57
Temperature: 1.300000
Total energy: -297.573236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.573236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.573236 (E_RNA)
where:
Base-Base interactions energy: -134.614
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.222
local terms energy: -162.737839
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -48.118
flat angles C4'-P-C4' energy: -42.176
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -5.849
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -221.727546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.727546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.727546 (E_RNA)
where:
Base-Base interactions energy: -76.089
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.333
local terms energy: -145.306104
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -52.551
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: 7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -913.351408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.351408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.351408 (E_RNA)
where:
Base-Base interactions energy: -625.937
where: short stacking energy: -264.989
Base-Backbone interact. energy: 0.305
local terms energy: -287.719401
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -77.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -825.971487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.971487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.971487 (E_RNA)
where:
Base-Base interactions energy: -577.093
where: short stacking energy: -245.850
Base-Backbone interact. energy: -0.141
local terms energy: -248.737513
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -55.916
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: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -822.187583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.187583 (E_RNA)
where:
Base-Base interactions energy: -564.592
where: short stacking energy: -249.828
Base-Backbone interact. energy: -2.473
local terms energy: -255.122161
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -45.697
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: -63.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -723.570526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.570526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.570526 (E_RNA)
where:
Base-Base interactions energy: -462.375
where: short stacking energy: -201.719
Base-Backbone interact. energy: -1.443
local terms energy: -259.752408
where:
bonds (distance) C4'-P energy: -56.711
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -55.019
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: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -654.579698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.579698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.579698 (E_RNA)
where:
Base-Base interactions energy: -427.465
where: short stacking energy: -216.789
Base-Backbone interact. energy: -1.076
local terms energy: -226.038657
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -58.759
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -50.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -704.820114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.820114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.820114 (E_RNA)
where:
Base-Base interactions energy: -470.840
where: short stacking energy: -195.438
Base-Backbone interact. energy: -0.552
local terms energy: -233.427766
where:
bonds (distance) C4'-P energy: -40.982
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -37.231
tors. eta vs tors. theta energy: -52.843
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: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -569.840303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.840303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.840303 (E_RNA)
where:
Base-Base interactions energy: -369.444
where: short stacking energy: -155.384
Base-Backbone interact. energy: -1.291
local terms energy: -199.105529
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -50.123
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -585.567704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.567704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.567704 (E_RNA)
where:
Base-Base interactions energy: -375.152
where: short stacking energy: -165.934
Base-Backbone interact. energy: -1.065
local terms energy: -209.350968
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -50.944
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -327.913043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.913043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.913043 (E_RNA)
where:
Base-Base interactions energy: -152.025
where: short stacking energy: -96.951
Base-Backbone interact. energy: 3.527
local terms energy: -179.415411
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -222.829264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.829264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.829264 (E_RNA)
where:
Base-Base interactions energy: -64.879
where: short stacking energy: -61.721
Base-Backbone interact. energy: -0.661
local terms energy: -157.289802
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -43.968
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: 5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -913.598844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.598844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.598844 (E_RNA)
where:
Base-Base interactions energy: -632.693
where: short stacking energy: -265.250
Base-Backbone interact. energy: -1.915
local terms energy: -278.991580
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -58.836
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -76.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -871.491894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.491894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.491894 (E_RNA)
where:
Base-Base interactions energy: -582.868
where: short stacking energy: -244.480
Base-Backbone interact. energy: 2.332
local terms energy: -290.956099
where:
bonds (distance) C4'-P energy: -55.613
bonds (distance) P-C4' energy: -61.139
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -59.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -812.720348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.720348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.720348 (E_RNA)
where:
Base-Base interactions energy: -546.509
where: short stacking energy: -237.209
Base-Backbone interact. energy: -0.551
local terms energy: -265.659686
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -58.995
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -62.468
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: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -733.176662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.176662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.176662 (E_RNA)
where:
Base-Base interactions energy: -499.064
where: short stacking energy: -221.758
Base-Backbone interact. energy: -1.073
local terms energy: -233.039772
where:
bonds (distance) C4'-P energy: -41.221
bonds (distance) P-C4' energy: -47.321
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -57.635
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: 59
Temperature: 1.100000
Total energy: -644.339799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.339799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.339799 (E_RNA)
where:
Base-Base interactions energy: -411.339
where: short stacking energy: -186.262
Base-Backbone interact. energy: -1.191
local terms energy: -231.809255
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -54.602
flat angles P-C4'-P energy: -37.845
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: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -701.099238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.099238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.099238 (E_RNA)
where:
Base-Base interactions energy: -474.890
where: short stacking energy: -198.518
Base-Backbone interact. energy: 1.147
local terms energy: -227.355643
where:
bonds (distance) C4'-P energy: -52.868
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -31.413
tors. eta vs tors. theta energy: -50.104
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -632.579342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.579342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.579342 (E_RNA)
where:
Base-Base interactions energy: -396.796
where: short stacking energy: -183.597
Base-Backbone interact. energy: -0.844
local terms energy: -234.940078
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -43.557
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -574.527170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.527170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.527170 (E_RNA)
where:
Base-Base interactions energy: -376.864
where: short stacking energy: -150.080
Base-Backbone interact. energy: -1.537
local terms energy: -196.125286
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -48.366
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -282.488117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.488117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.488117 (E_RNA)
where:
Base-Base interactions energy: -126.158
where: short stacking energy: -80.691
Base-Backbone interact. energy: 5.282
local terms energy: -161.611664
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -47.141
flat angles C4'-P-C4' energy: -40.147
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: 1.363
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -274.001886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.001886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.001886 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -69.545
Base-Backbone interact. energy: 0.882
local terms energy: -150.225642
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -907.432983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.432983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.432983 (E_RNA)
where:
Base-Base interactions energy: -611.641
where: short stacking energy: -258.491
Base-Backbone interact. energy: -1.080
local terms energy: -294.712142
where:
bonds (distance) C4'-P energy: -57.362
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -74.623
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -857.178170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.178170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.178170 (E_RNA)
where:
Base-Base interactions energy: -590.260
where: short stacking energy: -258.988
Base-Backbone interact. energy: -1.969
local terms energy: -264.948900
where:
bonds (distance) C4'-P energy: -48.675
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -61.907
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -814.300786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.300786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.300786 (E_RNA)
where:
Base-Base interactions energy: -544.842
where: short stacking energy: -229.227
Base-Backbone interact. energy: -0.678
local terms energy: -268.781082
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -58.709
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: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -731.624810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.624810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.624810 (E_RNA)
where:
Base-Base interactions energy: -486.993
where: short stacking energy: -218.646
Base-Backbone interact. energy: -0.581
local terms energy: -244.051244
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -57.005
flat angles C4'-P-C4' energy: -47.616
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -54.855
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -666.163650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.163650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.163650 (E_RNA)
where:
Base-Base interactions energy: -436.225
where: short stacking energy: -206.704
Base-Backbone interact. energy: 1.143
local terms energy: -231.081617
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -46.318
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -707.222422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.222422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.222422 (E_RNA)
where:
Base-Base interactions energy: -482.307
where: short stacking energy: -208.660
Base-Backbone interact. energy: 0.617
local terms energy: -225.533301
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -32.691
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -599.197968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.197968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.197968 (E_RNA)
where:
Base-Base interactions energy: -371.610
where: short stacking energy: -188.602
Base-Backbone interact. energy: -0.582
local terms energy: -227.005605
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -51.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -602.761017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.761017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.761017 (E_RNA)
where:
Base-Base interactions energy: -401.087
where: short stacking energy: -187.808
Base-Backbone interact. energy: -1.729
local terms energy: -199.944707
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -49.250
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -30.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -292.192044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.192044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.192044 (E_RNA)
where:
Base-Base interactions energy: -133.695
where: short stacking energy: -78.762
Base-Backbone interact. energy: 2.202
local terms energy: -160.698576
where:
bonds (distance) C4'-P energy: -42.436
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -298.007229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.007229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.007229 (E_RNA)
where:
Base-Base interactions energy: -132.296
where: short stacking energy: -86.695
Base-Backbone interact. energy: 5.055
local terms energy: -170.766226
where:
bonds (distance) C4'-P energy: -46.699
bonds (distance) P-C4' energy: -41.499
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -5.166
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: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -900.542877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.542877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.542877 (E_RNA)
where:
Base-Base interactions energy: -619.257
where: short stacking energy: -267.269
Base-Backbone interact. energy: -0.336
local terms energy: -280.950283
where:
bonds (distance) C4'-P energy: -51.593
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -81.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -856.897787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.897787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.897787 (E_RNA)
where:
Base-Base interactions energy: -589.451
where: short stacking energy: -249.209
Base-Backbone interact. energy: 1.101
local terms energy: -268.547945
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -40.998
tors. eta vs tors. theta energy: -56.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -816.581819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.581819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.581819 (E_RNA)
where:
Base-Base interactions energy: -571.074
where: short stacking energy: -243.717
Base-Backbone interact. energy: -0.276
local terms energy: -245.231841
where:
bonds (distance) C4'-P energy: -35.412
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -57.181
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -65.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -701.017138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.017138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.017138 (E_RNA)
where:
Base-Base interactions energy: -469.715
where: short stacking energy: -218.240
Base-Backbone interact. energy: -0.732
local terms energy: -230.569998
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -47.443
flat angles C4'-P-C4' energy: -48.196
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -47.296
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -715.786212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.786212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.786212 (E_RNA)
where:
Base-Base interactions energy: -479.970
where: short stacking energy: -217.745
Base-Backbone interact. energy: -0.517
local terms energy: -235.299993
where:
bonds (distance) C4'-P energy: -51.587
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -54.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -733.717878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.717878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.717878 (E_RNA)
where:
Base-Base interactions energy: -490.335
where: short stacking energy: -220.212
Base-Backbone interact. energy: -0.112
local terms energy: -243.271453
where:
bonds (distance) C4'-P energy: -51.359
bonds (distance) P-C4' energy: -45.225
flat angles C4'-P-C4' energy: -51.729
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -62.559
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: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -625.660587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.660587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.660587 (E_RNA)
where:
Base-Base interactions energy: -411.475
where: short stacking energy: -181.393
Base-Backbone interact. energy: -1.114
local terms energy: -213.071386
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -48.849
flat angles C4'-P-C4' energy: -48.354
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -45.011
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: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -548.680026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.680026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.680026 (E_RNA)
where:
Base-Base interactions energy: -351.026
where: short stacking energy: -148.152
Base-Backbone interact. energy: 1.884
local terms energy: -199.538287
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -26.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -308.274055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.274055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.274055 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -95.674
Base-Backbone interact. energy: -0.340
local terms energy: -155.146140
where:
bonds (distance) C4'-P energy: -49.407
bonds (distance) P-C4' energy: -46.758
flat angles C4'-P-C4' energy: -40.976
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -304.811577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.811577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.811577 (E_RNA)
where:
Base-Base interactions energy: -159.322
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.382
local terms energy: -145.106815
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -39.023
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -901.908711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.908711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.908711 (E_RNA)
where:
Base-Base interactions energy: -625.533
where: short stacking energy: -267.537
Base-Backbone interact. energy: -1.262
local terms energy: -275.113121
where:
bonds (distance) C4'-P energy: -47.130
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -72.495
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -834.960572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.960572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.960572 (E_RNA)
where:
Base-Base interactions energy: -576.955
where: short stacking energy: -250.305
Base-Backbone interact. energy: -0.596
local terms energy: -257.409243
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -60.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -816.917506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.917506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.917506 (E_RNA)
where:
Base-Base interactions energy: -567.517
where: short stacking energy: -237.603
Base-Backbone interact. energy: 0.661
local terms energy: -250.061846
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -60.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -680.767838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.767838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.767838 (E_RNA)
where:
Base-Base interactions energy: -445.387
where: short stacking energy: -196.693
Base-Backbone interact. energy: -1.206
local terms energy: -234.174687
where:
bonds (distance) C4'-P energy: -46.372
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -53.613
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -44.721
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: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -735.488374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.488374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.488374 (E_RNA)
where:
Base-Base interactions energy: -498.587
where: short stacking energy: -210.965
Base-Backbone interact. energy: -0.432
local terms energy: -236.469560
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -56.898
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -54.814
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: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -685.901483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.901483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.901483 (E_RNA)
where:
Base-Base interactions energy: -463.472
where: short stacking energy: -204.964
Base-Backbone interact. energy: -3.451
local terms energy: -218.978789
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -46.139
flat angles C4'-P-C4' energy: -50.548
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -589.559175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.559175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.559175 (E_RNA)
where:
Base-Base interactions energy: -386.213
where: short stacking energy: -168.431
Base-Backbone interact. energy: -1.286
local terms energy: -202.060538
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -44.234
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -33.840
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: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -571.320182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.320182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.320182 (E_RNA)
where:
Base-Base interactions energy: -376.894
where: short stacking energy: -176.309
Base-Backbone interact. energy: -0.964
local terms energy: -193.461765
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -39.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -325.906907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.906907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.906907 (E_RNA)
where:
Base-Base interactions energy: -167.188
where: short stacking energy: -96.045
Base-Backbone interact. energy: 0.330
local terms energy: -159.048845
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -38.655
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -301.564831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.564831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.564831 (E_RNA)
where:
Base-Base interactions energy: -148.797
where: short stacking energy: -101.584
Base-Backbone interact. energy: 1.119
local terms energy: -153.887128
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -48.683
flat angles C4'-P-C4' energy: -37.890
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -3.385
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: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -900.176699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.176699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.176699 (E_RNA)
where:
Base-Base interactions energy: -624.698
where: short stacking energy: -255.781
Base-Backbone interact. energy: 0.573
local terms energy: -276.051756
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -52.490
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -74.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -858.433816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.433816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.433816 (E_RNA)
where:
Base-Base interactions energy: -589.451
where: short stacking energy: -250.190
Base-Backbone interact. energy: -1.078
local terms energy: -267.905476
where:
bonds (distance) C4'-P energy: -47.026
bonds (distance) P-C4' energy: -57.705
flat angles C4'-P-C4' energy: -56.731
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -66.363
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: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -835.041758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.041758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.041758 (E_RNA)
where:
Base-Base interactions energy: -565.698
where: short stacking energy: -258.693
Base-Backbone interact. energy: 1.513
local terms energy: -270.856730
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -52.893
flat angles P-C4'-P energy: -47.011
tors. eta vs tors. theta energy: -72.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -770.473076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.473076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.473076 (E_RNA)
where:
Base-Base interactions energy: -513.062
where: short stacking energy: -215.054
Base-Backbone interact. energy: -0.520
local terms energy: -256.891245
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -50.299
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -40.110
tors. eta vs tors. theta energy: -57.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -650.509438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.509438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.509438 (E_RNA)
where:
Base-Base interactions energy: -449.505
where: short stacking energy: -185.349
Base-Backbone interact. energy: -1.207
local terms energy: -199.797408
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -48.322
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -44.439
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: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -717.705446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.705446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.705446 (E_RNA)
where:
Base-Base interactions energy: -479.816
where: short stacking energy: -202.888
Base-Backbone interact. energy: -1.206
local terms energy: -236.684102
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -54.865
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -52.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -603.635975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.635975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.635975 (E_RNA)
where:
Base-Base interactions energy: -406.006
where: short stacking energy: -181.346
Base-Backbone interact. energy: -2.055
local terms energy: -195.575189
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -34.302
tors. eta vs tors. theta energy: -38.616
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -554.843546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.843546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.843546 (E_RNA)
where:
Base-Base interactions energy: -367.427
where: short stacking energy: -166.480
Base-Backbone interact. energy: -0.564
local terms energy: -186.852909
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -41.581
flat angles C4'-P-C4' energy: -36.930
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -377.899813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.899813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.899813 (E_RNA)
where:
Base-Base interactions energy: -209.729
where: short stacking energy: -117.799
Base-Backbone interact. energy: 0.520
local terms energy: -168.690469
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -45.761
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -18.408
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: 63
Temperature: 1.350000
Total energy: -297.730575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.730575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.730575 (E_RNA)
where:
Base-Base interactions energy: -149.775
where: short stacking energy: -78.268
Base-Backbone interact. energy: -0.779
local terms energy: -147.176549
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 1.138
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: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -916.841337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.841337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.841337 (E_RNA)
where:
Base-Base interactions energy: -631.697
where: short stacking energy: -263.345
Base-Backbone interact. energy: -1.004
local terms energy: -284.139874
where:
bonds (distance) C4'-P energy: -59.295
bonds (distance) P-C4' energy: -52.872
flat angles C4'-P-C4' energy: -61.583
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -77.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -836.454237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.454237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.454237 (E_RNA)
where:
Base-Base interactions energy: -571.142
where: short stacking energy: -236.822
Base-Backbone interact. energy: -0.793
local terms energy: -264.519285
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -53.211
flat angles P-C4'-P energy: -40.017
tors. eta vs tors. theta energy: -59.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -833.774517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.774517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.774517 (E_RNA)
where:
Base-Base interactions energy: -566.060
where: short stacking energy: -253.832
Base-Backbone interact. energy: -0.262
local terms energy: -267.452205
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -69.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -814.965256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.965256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.965256 (E_RNA)
where:
Base-Base interactions energy: -574.516
where: short stacking energy: -250.448
Base-Backbone interact. energy: 3.557
local terms energy: -244.006439
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -43.930
flat angles C4'-P-C4' energy: -52.837
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -64.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -760.218457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.218457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.218457 (E_RNA)
where:
Base-Base interactions energy: -510.071
where: short stacking energy: -215.245
Base-Backbone interact. energy: -0.542
local terms energy: -249.605969
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -55.352
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -60.460
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -635.135072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.135072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.135072 (E_RNA)
where:
Base-Base interactions energy: -410.489
where: short stacking energy: -180.020
Base-Backbone interact. energy: 0.402
local terms energy: -225.048169
where:
bonds (distance) C4'-P energy: -38.311
bonds (distance) P-C4' energy: -54.089
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -47.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -585.742088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.742088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.742088 (E_RNA)
where:
Base-Base interactions energy: -379.675
where: short stacking energy: -179.983
Base-Backbone interact. energy: -1.243
local terms energy: -204.824291
where:
bonds (distance) C4'-P energy: -44.443
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -52.974
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -40.958
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: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -559.904331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.904331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.904331 (E_RNA)
where:
Base-Base interactions energy: -370.676
where: short stacking energy: -158.621
Base-Backbone interact. energy: -1.274
local terms energy: -187.955001
where:
bonds (distance) C4'-P energy: -50.082
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -338.767231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.767231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.767231 (E_RNA)
where:
Base-Base interactions energy: -185.783
where: short stacking energy: -102.466
Base-Backbone interact. energy: 1.329
local terms energy: -154.313675
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -20.688
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: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -302.389357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.389357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.389357 (E_RNA)
where:
Base-Base interactions energy: -159.836
where: short stacking energy: -78.536
Base-Backbone interact. energy: 0.226
local terms energy: -142.779078
where:
bonds (distance) C4'-P energy: -44.559
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -42.586
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -925.374939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.374939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.374939 (E_RNA)
where:
Base-Base interactions energy: -626.748
where: short stacking energy: -277.913
Base-Backbone interact. energy: -0.972
local terms energy: -297.654050
where:
bonds (distance) C4'-P energy: -53.595
bonds (distance) P-C4' energy: -55.453
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -79.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -863.350625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.350625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.350625 (E_RNA)
where:
Base-Base interactions energy: -594.682
where: short stacking energy: -263.246
Base-Backbone interact. energy: -0.878
local terms energy: -267.790877
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -64.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -834.297880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.297880 (E_RNA)
where:
Base-Base interactions energy: -583.668
where: short stacking energy: -254.534
Base-Backbone interact. energy: 1.944
local terms energy: -252.574138
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -46.260
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -63.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -781.868974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.868974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.868974 (E_RNA)
where:
Base-Base interactions energy: -539.347
where: short stacking energy: -229.892
Base-Backbone interact. energy: -1.801
local terms energy: -240.720834
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -54.821
flat angles C4'-P-C4' energy: -49.784
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -62.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -747.134664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.134664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.134664 (E_RNA)
where:
Base-Base interactions energy: -501.139
where: short stacking energy: -222.404
Base-Backbone interact. energy: -1.074
local terms energy: -244.921515
where:
bonds (distance) C4'-P energy: -47.835
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -55.177
flat angles P-C4'-P energy: -32.494
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: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -615.095305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.095305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.095305 (E_RNA)
where:
Base-Base interactions energy: -410.511
where: short stacking energy: -183.940
Base-Backbone interact. energy: -0.260
local terms energy: -204.323454
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -40.289
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -39.866
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: 65
Temperature: 1.200000
Total energy: -637.059817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.059817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.059817 (E_RNA)
where:
Base-Base interactions energy: -398.847
where: short stacking energy: -202.085
Base-Backbone interact. energy: 0.427
local terms energy: -238.639730
where:
bonds (distance) C4'-P energy: -45.142
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -50.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -568.424816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.424816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.424816 (E_RNA)
where:
Base-Base interactions energy: -369.075
where: short stacking energy: -155.622
Base-Backbone interact. energy: -1.736
local terms energy: -197.613806
where:
bonds (distance) C4'-P energy: -41.499
bonds (distance) P-C4' energy: -48.812
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -30.174
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -319.791048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.791048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.791048 (E_RNA)
where:
Base-Base interactions energy: -137.246
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.283
local terms energy: -182.262652
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -55.710
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -275.833641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.833641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.833641 (E_RNA)
where:
Base-Base interactions energy: -120.064
where: short stacking energy: -64.653
Base-Backbone interact. energy: -1.114
local terms energy: -154.655603
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: 2.024
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: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -929.037999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.037999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.037999 (E_RNA)
where:
Base-Base interactions energy: -645.435
where: short stacking energy: -271.511
Base-Backbone interact. energy: -1.326
local terms energy: -282.276811
where:
bonds (distance) C4'-P energy: -53.676
bonds (distance) P-C4' energy: -56.608
flat angles C4'-P-C4' energy: -58.321
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -74.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -864.915022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.915022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.915022 (E_RNA)
where:
Base-Base interactions energy: -584.889
where: short stacking energy: -248.524
Base-Backbone interact. energy: -1.268
local terms energy: -278.757926
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -57.941
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -65.758
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -815.093708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.093708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.093708 (E_RNA)
where:
Base-Base interactions energy: -555.209
where: short stacking energy: -231.140
Base-Backbone interact. energy: 2.975
local terms energy: -262.859188
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -49.861
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -63.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -785.613835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.613835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.613835 (E_RNA)
where:
Base-Base interactions energy: -539.865
where: short stacking energy: -233.027
Base-Backbone interact. energy: -0.531
local terms energy: -245.217917
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -55.947
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -59.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -778.934370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.934370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.934370 (E_RNA)
where:
Base-Base interactions energy: -556.075
where: short stacking energy: -236.427
Base-Backbone interact. energy: 1.167
local terms energy: -224.026086
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -45.608
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -60.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -598.218791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.218791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.218791 (E_RNA)
where:
Base-Base interactions energy: -394.117
where: short stacking energy: -181.479
Base-Backbone interact. energy: -0.678
local terms energy: -203.424376
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -39.012
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: 66
Temperature: 1.200000
Total energy: -596.833611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.833611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.833611 (E_RNA)
where:
Base-Base interactions energy: -381.535
where: short stacking energy: -166.702
Base-Backbone interact. energy: -1.838
local terms energy: -213.460756
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -42.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -569.541723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.541723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.541723 (E_RNA)
where:
Base-Base interactions energy: -368.039
where: short stacking energy: -160.779
Base-Backbone interact. energy: 1.922
local terms energy: -203.425334
where:
bonds (distance) C4'-P energy: -54.092
bonds (distance) P-C4' energy: -46.079
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -31.910
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: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -309.798564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.798564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.798564 (E_RNA)
where:
Base-Base interactions energy: -149.629
where: short stacking energy: -76.172
Base-Backbone interact. energy: -0.414
local terms energy: -159.756003
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: 5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -265.068408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.068408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.068408 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -85.601
Base-Backbone interact. energy: 0.217
local terms energy: -140.799146
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -39.621
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -894.591195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.591195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.591195 (E_RNA)
where:
Base-Base interactions energy: -633.247
where: short stacking energy: -268.510
Base-Backbone interact. energy: 3.292
local terms energy: -264.636044
where:
bonds (distance) C4'-P energy: -47.998
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -70.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -850.959918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.959918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.959918 (E_RNA)
where:
Base-Base interactions energy: -593.135
where: short stacking energy: -256.956
Base-Backbone interact. energy: 0.997
local terms energy: -258.821710
where:
bonds (distance) C4'-P energy: -48.297
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -66.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -837.681514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.681514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.681514 (E_RNA)
where:
Base-Base interactions energy: -568.122
where: short stacking energy: -259.165
Base-Backbone interact. energy: -1.144
local terms energy: -268.415526
where:
bonds (distance) C4'-P energy: -59.535
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -65.331
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -60.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -809.580694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.580694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.580694 (E_RNA)
where:
Base-Base interactions energy: -544.355
where: short stacking energy: -248.981
Base-Backbone interact. energy: -0.122
local terms energy: -265.104181
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -69.917
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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -771.060145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.060145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.060145 (E_RNA)
where:
Base-Base interactions energy: -526.512
where: short stacking energy: -231.356
Base-Backbone interact. energy: -1.778
local terms energy: -242.770227
where:
bonds (distance) C4'-P energy: -32.622
bonds (distance) P-C4' energy: -58.001
flat angles C4'-P-C4' energy: -57.740
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -62.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -635.798299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.798299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.798299 (E_RNA)
where:
Base-Base interactions energy: -428.370
where: short stacking energy: -200.283
Base-Backbone interact. energy: 1.620
local terms energy: -209.047806
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -52.426
flat angles C4'-P-C4' energy: -42.287
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -49.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -624.169740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.169740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.169740 (E_RNA)
where:
Base-Base interactions energy: -396.312
where: short stacking energy: -182.172
Base-Backbone interact. energy: -0.539
local terms energy: -227.318722
where:
bonds (distance) C4'-P energy: -52.145
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -55.673
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -40.989
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: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -614.249008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.249008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.249008 (E_RNA)
where:
Base-Base interactions energy: -398.375
where: short stacking energy: -175.685
Base-Backbone interact. energy: 0.690
local terms energy: -216.564109
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -54.101
flat angles C4'-P-C4' energy: -43.033
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -299.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.228884 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -75.891
Base-Backbone interact. energy: 0.142
local terms energy: -173.059788
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -283.185679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.185679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.185679 (E_RNA)
where:
Base-Base interactions energy: -126.213
where: short stacking energy: -69.628
Base-Backbone interact. energy: 2.151
local terms energy: -159.123813
where:
bonds (distance) C4'-P energy: -50.529
bonds (distance) P-C4' energy: -39.713
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: 3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -876.102660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.102660 (E_RNA)
where:
Base-Base interactions energy: -588.910
where: short stacking energy: -243.041
Base-Backbone interact. energy: -0.615
local terms energy: -286.577147
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -62.490
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -67.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -885.555219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.555219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.555219 (E_RNA)
where:
Base-Base interactions energy: -620.197
where: short stacking energy: -256.845
Base-Backbone interact. energy: -1.400
local terms energy: -263.958034
where:
bonds (distance) C4'-P energy: -52.239
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -70.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -826.024244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.024244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.024244 (E_RNA)
where:
Base-Base interactions energy: -563.463
where: short stacking energy: -247.560
Base-Backbone interact. energy: -0.765
local terms energy: -261.796536
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -43.761
flat angles C4'-P-C4' energy: -60.087
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -63.557
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: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -796.956243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.956243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.956243 (E_RNA)
where:
Base-Base interactions energy: -536.072
where: short stacking energy: -217.035
Base-Backbone interact. energy: -1.144
local terms energy: -259.740528
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -58.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -744.783582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.783582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.783582 (E_RNA)
where:
Base-Base interactions energy: -516.671
where: short stacking energy: -215.036
Base-Backbone interact. energy: -0.586
local terms energy: -227.527146
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -52.989
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -46.743
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: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -617.733914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.733914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.733914 (E_RNA)
where:
Base-Base interactions energy: -406.375
where: short stacking energy: -184.160
Base-Backbone interact. energy: -0.347
local terms energy: -211.011655
where:
bonds (distance) C4'-P energy: -43.629
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -47.425
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: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -579.786697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.786697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.786697 (E_RNA)
where:
Base-Base interactions energy: -376.270
where: short stacking energy: -176.271
Base-Backbone interact. energy: -0.645
local terms energy: -202.871983
where:
bonds (distance) C4'-P energy: -50.649
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -43.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -602.717392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.717392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.717392 (E_RNA)
where:
Base-Base interactions energy: -383.845
where: short stacking energy: -171.042
Base-Backbone interact. energy: -0.863
local terms energy: -218.009428
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -42.816
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -43.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -300.461038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.461038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.461038 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -96.147
Base-Backbone interact. energy: 1.498
local terms energy: -155.548580
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -39.663
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -286.830375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.830375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.830375 (E_RNA)
where:
Base-Base interactions energy: -127.714
where: short stacking energy: -76.399
Base-Backbone interact. energy: -0.903
local terms energy: -158.213599
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -41.142
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -856.142403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.142403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.142403 (E_RNA)
where:
Base-Base interactions energy: -593.640
where: short stacking energy: -266.997
Base-Backbone interact. energy: -0.662
local terms energy: -261.840211
where:
bonds (distance) C4'-P energy: -53.395
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -30.622
tors. eta vs tors. theta energy: -64.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -890.571307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.571307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.571307 (E_RNA)
where:
Base-Base interactions energy: -615.285
where: short stacking energy: -266.307
Base-Backbone interact. energy: -2.683
local terms energy: -272.603832
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -74.980
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: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -812.748645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.748645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.748645 (E_RNA)
where:
Base-Base interactions energy: -563.263
where: short stacking energy: -240.452
Base-Backbone interact. energy: -0.287
local terms energy: -249.198670
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -30.051
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: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -811.918185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.918185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.918185 (E_RNA)
where:
Base-Base interactions energy: -564.538
where: short stacking energy: -241.760
Base-Backbone interact. energy: -0.314
local terms energy: -247.066354
where:
bonds (distance) C4'-P energy: -43.189
bonds (distance) P-C4' energy: -49.664
flat angles C4'-P-C4' energy: -53.508
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -70.500
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -761.835191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.835191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.835191 (E_RNA)
where:
Base-Base interactions energy: -528.449
where: short stacking energy: -225.845
Base-Backbone interact. energy: -1.052
local terms energy: -232.334171
where:
bonds (distance) C4'-P energy: -50.754
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -44.999
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -54.107
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: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -625.158803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.158803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.158803 (E_RNA)
where:
Base-Base interactions energy: -404.548
where: short stacking energy: -179.297
Base-Backbone interact. energy: -1.072
local terms energy: -219.539592
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -57.066
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -619.443312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.443312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.443312 (E_RNA)
where:
Base-Base interactions energy: -395.950
where: short stacking energy: -194.061
Base-Backbone interact. energy: 1.002
local terms energy: -224.495334
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -51.099
flat angles C4'-P-C4' energy: -49.107
flat angles P-C4'-P energy: -32.135
tors. eta vs tors. theta energy: -45.011
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: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -597.811781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.811781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.811781 (E_RNA)
where:
Base-Base interactions energy: -396.197
where: short stacking energy: -162.068
Base-Backbone interact. energy: -0.845
local terms energy: -200.769642
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -37.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -289.068512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.068512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.068512 (E_RNA)
where:
Base-Base interactions energy: -134.713
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.470
local terms energy: -153.884706
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -252.030268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.030268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.030268 (E_RNA)
where:
Base-Base interactions energy: -102.716
where: short stacking energy: -52.998
Base-Backbone interact. energy: 0.250
local terms energy: -149.564867
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -46.894
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: 8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -878.215439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.215439 (E_RNA)
where:
Base-Base interactions energy: -599.181
where: short stacking energy: -263.522
Base-Backbone interact. energy: -1.174
local terms energy: -277.860816
where:
bonds (distance) C4'-P energy: -51.553
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -67.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -887.791980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.791980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.791980 (E_RNA)
where:
Base-Base interactions energy: -610.920
where: short stacking energy: -265.937
Base-Backbone interact. energy: -0.482
local terms energy: -276.389301
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -41.194
tors. eta vs tors. theta energy: -70.653
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: 70
Temperature: 1.000000
Total energy: -826.059891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.059891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.059891 (E_RNA)
where:
Base-Base interactions energy: -557.594
where: short stacking energy: -251.291
Base-Backbone interact. energy: -0.192
local terms energy: -268.273860
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -55.839
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -33.529
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: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -792.204683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.204683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.204683 (E_RNA)
where:
Base-Base interactions energy: -556.265
where: short stacking energy: -244.323
Base-Backbone interact. energy: -1.472
local terms energy: -234.468112
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -44.278
flat angles C4'-P-C4' energy: -57.301
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -57.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -738.383052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.383052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.383052 (E_RNA)
where:
Base-Base interactions energy: -501.114
where: short stacking energy: -210.097
Base-Backbone interact. energy: -1.553
local terms energy: -235.716224
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -51.894
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -48.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -667.629616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.629616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.629616 (E_RNA)
where:
Base-Base interactions energy: -425.933
where: short stacking energy: -193.847
Base-Backbone interact. energy: -0.386
local terms energy: -241.310390
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -57.802
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -630.265670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.265670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.265670 (E_RNA)
where:
Base-Base interactions energy: -394.424
where: short stacking energy: -186.477
Base-Backbone interact. energy: -0.313
local terms energy: -235.529089
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -58.243
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -50.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -590.239724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.239724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.239724 (E_RNA)
where:
Base-Base interactions energy: -392.690
where: short stacking energy: -167.142
Base-Backbone interact. energy: -0.621
local terms energy: -196.928171
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -34.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -293.429934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.429934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.429934 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -74.145
Base-Backbone interact. energy: -0.951
local terms energy: -168.582691
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -39.047
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -230.717477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.717477 (E_RNA)
where:
Base-Base interactions energy: -87.464
where: short stacking energy: -79.140
Base-Backbone interact. energy: -1.204
local terms energy: -142.049647
where:
bonds (distance) C4'-P energy: -45.625
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: 2.298
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: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -882.620054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.620054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.620054 (E_RNA)
where:
Base-Base interactions energy: -597.663
where: short stacking energy: -262.466
Base-Backbone interact. energy: -0.937
local terms energy: -284.019831
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -75.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -887.362439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.362439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.362439 (E_RNA)
where:
Base-Base interactions energy: -620.043
where: short stacking energy: -270.247
Base-Backbone interact. energy: -0.734
local terms energy: -266.586019
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -75.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -830.031555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.031555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.031555 (E_RNA)
where:
Base-Base interactions energy: -570.005
where: short stacking energy: -263.844
Base-Backbone interact. energy: -1.553
local terms energy: -258.473539
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -74.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -811.268872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.268872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.268872 (E_RNA)
where:
Base-Base interactions energy: -547.990
where: short stacking energy: -235.456
Base-Backbone interact. energy: -0.670
local terms energy: -262.609064
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -60.426
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -44.081
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -769.954225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.954225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.954225 (E_RNA)
where:
Base-Base interactions energy: -538.424
where: short stacking energy: -213.197
Base-Backbone interact. energy: 1.353
local terms energy: -232.883344
where:
bonds (distance) C4'-P energy: -46.511
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -55.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -618.694765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.694765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.694765 (E_RNA)
where:
Base-Base interactions energy: -407.495
where: short stacking energy: -180.867
Base-Backbone interact. energy: 0.010
local terms energy: -211.210592
where:
bonds (distance) C4'-P energy: -46.792
bonds (distance) P-C4' energy: -43.387
flat angles C4'-P-C4' energy: -48.531
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -37.603
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -593.360322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.360322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.360322 (E_RNA)
where:
Base-Base interactions energy: -370.307
where: short stacking energy: -179.837
Base-Backbone interact. energy: -0.878
local terms energy: -222.175273
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -44.011
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: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -576.566902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.566902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.566902 (E_RNA)
where:
Base-Base interactions energy: -384.398
where: short stacking energy: -170.925
Base-Backbone interact. energy: 0.702
local terms energy: -192.870896
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -34.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -303.734429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.734429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.734429 (E_RNA)
where:
Base-Base interactions energy: -143.664
where: short stacking energy: -94.860
Base-Backbone interact. energy: 0.217
local terms energy: -160.287243
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -228.891641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.891641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.891641 (E_RNA)
where:
Base-Base interactions energy: -90.100
where: short stacking energy: -84.990
Base-Backbone interact. energy: -0.423
local terms energy: -138.368852
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -36.981
flat angles C4'-P-C4' energy: -37.684
flat angles P-C4'-P energy: -17.520
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: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -886.737007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.737007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.737007 (E_RNA)
where:
Base-Base interactions energy: -615.121
where: short stacking energy: -265.742
Base-Backbone interact. energy: -1.555
local terms energy: -270.061014
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -56.146
flat angles C4'-P-C4' energy: -54.166
flat angles P-C4'-P energy: -47.612
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: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -860.534569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.534569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.534569 (E_RNA)
where:
Base-Base interactions energy: -587.387
where: short stacking energy: -254.381
Base-Backbone interact. energy: -2.841
local terms energy: -270.306661
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -55.064
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -69.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -843.768799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.768799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.768799 (E_RNA)
where:
Base-Base interactions energy: -576.529
where: short stacking energy: -275.577
Base-Backbone interact. energy: -1.027
local terms energy: -266.212872
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -47.200
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -76.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -796.000504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.000504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.000504 (E_RNA)
where:
Base-Base interactions energy: -555.878
where: short stacking energy: -253.978
Base-Backbone interact. energy: -0.234
local terms energy: -239.888402
where:
bonds (distance) C4'-P energy: -45.369
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -63.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -740.005189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.005189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.005189 (E_RNA)
where:
Base-Base interactions energy: -499.504
where: short stacking energy: -215.411
Base-Backbone interact. energy: 0.144
local terms energy: -240.645324
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -50.538
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -48.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -608.707974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.707974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.707974 (E_RNA)
where:
Base-Base interactions energy: -400.138
where: short stacking energy: -175.299
Base-Backbone interact. energy: 2.187
local terms energy: -210.757235
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -594.443940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.443940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.443940 (E_RNA)
where:
Base-Base interactions energy: -373.726
where: short stacking energy: -167.556
Base-Backbone interact. energy: -2.272
local terms energy: -218.446227
where:
bonds (distance) C4'-P energy: -43.402
bonds (distance) P-C4' energy: -52.808
flat angles C4'-P-C4' energy: -44.482
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -45.078
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: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -570.072068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.072068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.072068 (E_RNA)
where:
Base-Base interactions energy: -360.570
where: short stacking energy: -156.236
Base-Backbone interact. energy: -1.182
local terms energy: -208.320251
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -36.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -299.826158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.826158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.826158 (E_RNA)
where:
Base-Base interactions energy: -154.568
where: short stacking energy: -94.445
Base-Backbone interact. energy: -0.595
local terms energy: -144.663029
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -11.351
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: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -226.779750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.779750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.779750 (E_RNA)
where:
Base-Base interactions energy: -81.065
where: short stacking energy: -69.811
Base-Backbone interact. energy: 3.082
local terms energy: -148.796171
where:
bonds (distance) C4'-P energy: -44.088
bonds (distance) P-C4' energy: -41.461
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: 4.247
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: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -882.572420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.572420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.572420 (E_RNA)
where:
Base-Base interactions energy: -603.723
where: short stacking energy: -259.665
Base-Backbone interact. energy: 2.524
local terms energy: -281.373384
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -879.826310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.826310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.826310 (E_RNA)
where:
Base-Base interactions energy: -611.116
where: short stacking energy: -260.231
Base-Backbone interact. energy: -3.043
local terms energy: -265.667432
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -72.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -832.128970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.128970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.128970 (E_RNA)
where:
Base-Base interactions energy: -564.457
where: short stacking energy: -262.120
Base-Backbone interact. energy: 0.252
local terms energy: -267.924406
where:
bonds (distance) C4'-P energy: -54.387
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -70.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -749.972254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.972254 (E_RNA)
where:
Base-Base interactions energy: -509.395
where: short stacking energy: -234.296
Base-Backbone interact. energy: -1.933
local terms energy: -238.645117
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -57.536
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -59.228
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -748.158322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.158322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.158322 (E_RNA)
where:
Base-Base interactions energy: -509.236
where: short stacking energy: -207.234
Base-Backbone interact. energy: -0.768
local terms energy: -238.154150
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -34.004
tors. eta vs tors. theta energy: -42.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -664.653825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.653825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.653825 (E_RNA)
where:
Base-Base interactions energy: -439.695
where: short stacking energy: -207.457
Base-Backbone interact. energy: 2.535
local terms energy: -227.493077
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -40.435
flat angles C4'-P-C4' energy: -49.691
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -48.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -601.575010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.575010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.575010 (E_RNA)
where:
Base-Base interactions energy: -373.459
where: short stacking energy: -175.483
Base-Backbone interact. energy: -0.084
local terms energy: -228.032782
where:
bonds (distance) C4'-P energy: -45.445
bonds (distance) P-C4' energy: -56.874
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -52.224
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: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -557.383583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.383583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.383583 (E_RNA)
where:
Base-Base interactions energy: -350.087
where: short stacking energy: -159.461
Base-Backbone interact. energy: -0.992
local terms energy: -206.304910
where:
bonds (distance) C4'-P energy: -41.682
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -37.955
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -318.963786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.963786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.963786 (E_RNA)
where:
Base-Base interactions energy: -151.235
where: short stacking energy: -88.638
Base-Backbone interact. energy: 1.387
local terms energy: -169.116057
where:
bonds (distance) C4'-P energy: -48.388
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -223.756630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.756630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.756630 (E_RNA)
where:
Base-Base interactions energy: -82.603
where: short stacking energy: -71.095
Base-Backbone interact. energy: 3.026
local terms energy: -144.179733
where:
bonds (distance) C4'-P energy: -43.744
bonds (distance) P-C4' energy: -39.660
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: 8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -911.997813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.997813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.997813 (E_RNA)
where:
Base-Base interactions energy: -627.585
where: short stacking energy: -263.212
Base-Backbone interact. energy: -0.483
local terms energy: -283.930483
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -77.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -855.708804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.708804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.708804 (E_RNA)
where:
Base-Base interactions energy: -590.341
where: short stacking energy: -249.721
Base-Backbone interact. energy: 0.898
local terms energy: -266.265641
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -37.016
tors. eta vs tors. theta energy: -67.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -855.090779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.090779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.090779 (E_RNA)
where:
Base-Base interactions energy: -591.993
where: short stacking energy: -256.554
Base-Backbone interact. energy: -1.282
local terms energy: -261.816094
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -64.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -767.768848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.768848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.768848 (E_RNA)
where:
Base-Base interactions energy: -505.289
where: short stacking energy: -219.799
Base-Backbone interact. energy: -1.979
local terms energy: -260.500778
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -68.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -749.618754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.618754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.618754 (E_RNA)
where:
Base-Base interactions energy: -516.093
where: short stacking energy: -210.734
Base-Backbone interact. energy: 2.751
local terms energy: -236.277190
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -47.632
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: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -627.529385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.529385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.529385 (E_RNA)
where:
Base-Base interactions energy: -411.205
where: short stacking energy: -168.395
Base-Backbone interact. energy: 1.104
local terms energy: -217.428274
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -30.769
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -608.659738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.659738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.659738 (E_RNA)
where:
Base-Base interactions energy: -403.878
where: short stacking energy: -171.496
Base-Backbone interact. energy: -1.434
local terms energy: -203.348071
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -46.411
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -31.612
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: 74
Temperature: 1.250000
Total energy: -585.226695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.226695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.226695 (E_RNA)
where:
Base-Base interactions energy: -362.659
where: short stacking energy: -170.160
Base-Backbone interact. energy: -0.865
local terms energy: -221.702294
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -45.157
flat angles P-C4'-P energy: -32.034
tors. eta vs tors. theta energy: -50.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -321.374944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.374944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.374944 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -99.628
Base-Backbone interact. energy: -1.258
local terms energy: -164.161340
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -50.978
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -9.184
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: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -291.339570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.339570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.339570 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -94.711
Base-Backbone interact. energy: 0.062
local terms energy: -155.217737
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -25.487
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: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -901.823230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.823230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.823230 (E_RNA)
where:
Base-Base interactions energy: -623.226
where: short stacking energy: -261.318
Base-Backbone interact. energy: -0.485
local terms energy: -278.112408
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -54.390
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -77.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -858.371520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.371520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.371520 (E_RNA)
where:
Base-Base interactions energy: -586.239
where: short stacking energy: -262.488
Base-Backbone interact. energy: -0.928
local terms energy: -271.204365
where:
bonds (distance) C4'-P energy: -57.291
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -66.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -828.346016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.346016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.346016 (E_RNA)
where:
Base-Base interactions energy: -572.716
where: short stacking energy: -242.967
Base-Backbone interact. energy: -1.750
local terms energy: -253.879316
where:
bonds (distance) C4'-P energy: -47.625
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -61.994
flat angles P-C4'-P energy: -39.180
tors. eta vs tors. theta energy: -62.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -794.827834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.827834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.827834 (E_RNA)
where:
Base-Base interactions energy: -538.321
where: short stacking energy: -241.707
Base-Backbone interact. energy: -0.911
local terms energy: -255.596341
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -56.703
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -65.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -749.790955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.790955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.790955 (E_RNA)
where:
Base-Base interactions energy: -501.271
where: short stacking energy: -235.414
Base-Backbone interact. energy: -1.798
local terms energy: -246.721680
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -53.193
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -66.996
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: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -694.277779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.277779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.277779 (E_RNA)
where:
Base-Base interactions energy: -470.715
where: short stacking energy: -197.504
Base-Backbone interact. energy: -1.079
local terms energy: -222.484033
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -53.777
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -43.550
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: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -605.727273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.727273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.727273 (E_RNA)
where:
Base-Base interactions energy: -401.679
where: short stacking energy: -180.968
Base-Backbone interact. energy: -0.720
local terms energy: -203.328645
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -40.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -563.045261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.045261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.045261 (E_RNA)
where:
Base-Base interactions energy: -359.909
where: short stacking energy: -172.861
Base-Backbone interact. energy: -0.539
local terms energy: -202.597020
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -48.533
flat angles C4'-P-C4' energy: -43.462
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -323.615982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.615982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.615982 (E_RNA)
where:
Base-Base interactions energy: -155.913
where: short stacking energy: -91.395
Base-Backbone interact. energy: -0.309
local terms energy: -167.393114
where:
bonds (distance) C4'-P energy: -54.875
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -36.315
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -319.972255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.972255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.972255 (E_RNA)
where:
Base-Base interactions energy: -174.983
where: short stacking energy: -93.351
Base-Backbone interact. energy: 0.939
local terms energy: -145.928013
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -41.234
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -863.196124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.196124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.196124 (E_RNA)
where:
Base-Base interactions energy: -586.887
where: short stacking energy: -254.669
Base-Backbone interact. energy: 1.212
local terms energy: -277.520794
where:
bonds (distance) C4'-P energy: -55.313
bonds (distance) P-C4' energy: -56.246
flat angles C4'-P-C4' energy: -59.177
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -66.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -877.873225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.873225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.873225 (E_RNA)
where:
Base-Base interactions energy: -600.523
where: short stacking energy: -268.561
Base-Backbone interact. energy: -0.606
local terms energy: -276.743951
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -57.568
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -68.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -832.377090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.377090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.377090 (E_RNA)
where:
Base-Base interactions energy: -569.585
where: short stacking energy: -240.925
Base-Backbone interact. energy: -1.020
local terms energy: -261.772418
where:
bonds (distance) C4'-P energy: -57.056
bonds (distance) P-C4' energy: -53.609
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -63.247
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -775.134430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.134430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.134430 (E_RNA)
where:
Base-Base interactions energy: -522.980
where: short stacking energy: -219.601
Base-Backbone interact. energy: 0.833
local terms energy: -252.987714
where:
bonds (distance) C4'-P energy: -50.167
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -54.199
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -734.906650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.906650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.906650 (E_RNA)
where:
Base-Base interactions energy: -508.497
where: short stacking energy: -221.060
Base-Backbone interact. energy: -0.879
local terms energy: -225.530590
where:
bonds (distance) C4'-P energy: -48.327
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -40.960
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: -53.679
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: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -670.738387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.738387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.738387 (E_RNA)
where:
Base-Base interactions energy: -452.523
where: short stacking energy: -189.656
Base-Backbone interact. energy: 1.322
local terms energy: -219.537210
where:
bonds (distance) C4'-P energy: -51.737
bonds (distance) P-C4' energy: -43.658
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -34.947
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: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -602.374168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.374168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.374168 (E_RNA)
where:
Base-Base interactions energy: -410.953
where: short stacking energy: -192.323
Base-Backbone interact. energy: -0.715
local terms energy: -190.706096
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -37.986
flat angles C4'-P-C4' energy: -50.936
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -38.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -542.761038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.761038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.761038 (E_RNA)
where:
Base-Base interactions energy: -337.357
where: short stacking energy: -156.982
Base-Backbone interact. energy: -0.094
local terms energy: -205.310236
where:
bonds (distance) C4'-P energy: -40.491
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -56.755
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -320.450372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.450372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.450372 (E_RNA)
where:
Base-Base interactions energy: -149.632
where: short stacking energy: -93.805
Base-Backbone interact. energy: 0.327
local terms energy: -171.145366
where:
bonds (distance) C4'-P energy: -44.230
bonds (distance) P-C4' energy: -45.260
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -308.037500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.037500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.037500 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -87.811
Base-Backbone interact. energy: 0.238
local terms energy: -165.061164
where:
bonds (distance) C4'-P energy: -48.327
bonds (distance) P-C4' energy: -39.007
flat angles C4'-P-C4' energy: -39.759
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -7.688
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: 77
Temperature: 0.900000
Total energy: -861.331580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.331580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.331580 (E_RNA)
where:
Base-Base interactions energy: -579.082
where: short stacking energy: -251.175
Base-Backbone interact. energy: -1.025
local terms energy: -281.224366
where:
bonds (distance) C4'-P energy: -55.636
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -47.236
tors. eta vs tors. theta energy: -67.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -867.400158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.400158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.400158 (E_RNA)
where:
Base-Base interactions energy: -595.735
where: short stacking energy: -234.332
Base-Backbone interact. energy: -0.734
local terms energy: -270.930563
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -50.269
flat angles C4'-P-C4' energy: -63.209
flat angles P-C4'-P energy: -37.397
tors. eta vs tors. theta energy: -67.317
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -828.302452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.302452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.302452 (E_RNA)
where:
Base-Base interactions energy: -573.854
where: short stacking energy: -243.078
Base-Backbone interact. energy: -1.480
local terms energy: -252.967529
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -741.059829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.059829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.059829 (E_RNA)
where:
Base-Base interactions energy: -503.648
where: short stacking energy: -211.647
Base-Backbone interact. energy: -1.238
local terms energy: -236.173570
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -54.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -743.423814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.423814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.423814 (E_RNA)
where:
Base-Base interactions energy: -513.732
where: short stacking energy: -226.895
Base-Backbone interact. energy: -1.622
local terms energy: -228.070360
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -35.343
tors. eta vs tors. theta energy: -60.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -673.285738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.285738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.285738 (E_RNA)
where:
Base-Base interactions energy: -458.401
where: short stacking energy: -183.976
Base-Backbone interact. energy: -0.522
local terms energy: -214.362923
where:
bonds (distance) C4'-P energy: -47.147
bonds (distance) P-C4' energy: -44.049
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -41.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -609.195134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.195134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.195134 (E_RNA)
where:
Base-Base interactions energy: -405.681
where: short stacking energy: -172.835
Base-Backbone interact. energy: 0.018
local terms energy: -203.532345
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -562.610551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.610551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.610551 (E_RNA)
where:
Base-Base interactions energy: -363.383
where: short stacking energy: -160.546
Base-Backbone interact. energy: -0.406
local terms energy: -198.821252
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -33.809
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -321.414519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.414519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.414519 (E_RNA)
where:
Base-Base interactions energy: -155.201
where: short stacking energy: -83.138
Base-Backbone interact. energy: -1.163
local terms energy: -165.050892
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -52.718
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: 11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -283.626344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.626344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.626344 (E_RNA)
where:
Base-Base interactions energy: -116.061
where: short stacking energy: -72.395
Base-Backbone interact. energy: -1.083
local terms energy: -166.483019
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -48.172
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -849.843940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.843940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.843940 (E_RNA)
where:
Base-Base interactions energy: -576.596
where: short stacking energy: -264.010
Base-Backbone interact. energy: -0.787
local terms energy: -272.460819
where:
bonds (distance) C4'-P energy: -51.348
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -61.388
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -69.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -872.949854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.949854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.949854 (E_RNA)
where:
Base-Base interactions energy: -612.346
where: short stacking energy: -238.188
Base-Backbone interact. energy: 0.549
local terms energy: -261.152868
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -60.148
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: -66.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -834.616517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.616517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.616517 (E_RNA)
where:
Base-Base interactions energy: -588.572
where: short stacking energy: -230.139
Base-Backbone interact. energy: 0.123
local terms energy: -246.167491
where:
bonds (distance) C4'-P energy: -54.280
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -59.702
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -801.211151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.211151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.211151 (E_RNA)
where:
Base-Base interactions energy: -564.612
where: short stacking energy: -244.234
Base-Backbone interact. energy: -0.866
local terms energy: -235.732948
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -31.859
tors. eta vs tors. theta energy: -61.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -737.684850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.684850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.684850 (E_RNA)
where:
Base-Base interactions energy: -499.636
where: short stacking energy: -226.890
Base-Backbone interact. energy: 0.825
local terms energy: -238.873276
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: -56.421
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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -620.826597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.826597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.826597 (E_RNA)
where:
Base-Base interactions energy: -408.241
where: short stacking energy: -203.272
Base-Backbone interact. energy: -0.497
local terms energy: -212.087981
where:
bonds (distance) C4'-P energy: -38.552
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -46.570
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -53.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -621.362671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.362671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.362671 (E_RNA)
where:
Base-Base interactions energy: -399.842
where: short stacking energy: -183.159
Base-Backbone interact. energy: 1.257
local terms energy: -222.778532
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -36.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -582.539278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.539278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.539278 (E_RNA)
where:
Base-Base interactions energy: -362.976
where: short stacking energy: -160.660
Base-Backbone interact. energy: -0.940
local terms energy: -218.622833
where:
bonds (distance) C4'-P energy: -52.086
bonds (distance) P-C4' energy: -41.046
flat angles C4'-P-C4' energy: -52.732
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -36.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -297.549951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.549951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.549951 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -81.056
Base-Backbone interact. energy: 5.469
local terms energy: -163.320288
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: 0.979
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -302.871380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.871380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.871380 (E_RNA)
where:
Base-Base interactions energy: -160.374
where: short stacking energy: -85.877
Base-Backbone interact. energy: 2.146
local terms energy: -144.643736
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: 4.799
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: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -845.849524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.849524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.849524 (E_RNA)
where:
Base-Base interactions energy: -572.804
where: short stacking energy: -240.416
Base-Backbone interact. energy: -1.844
local terms energy: -271.201918
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -57.547
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -34.744
tors. eta vs tors. theta energy: -67.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -879.537008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.537008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.537008 (E_RNA)
where:
Base-Base interactions energy: -617.428
where: short stacking energy: -241.583
Base-Backbone interact. energy: -1.634
local terms energy: -260.474484
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -59.098
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -65.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -842.471447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.471447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.471447 (E_RNA)
where:
Base-Base interactions energy: -594.584
where: short stacking energy: -238.983
Base-Backbone interact. energy: 2.027
local terms energy: -249.914071
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -53.966
flat angles C4'-P-C4' energy: -56.020
flat angles P-C4'-P energy: -33.285
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: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -805.879463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.879463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.879463 (E_RNA)
where:
Base-Base interactions energy: -540.307
where: short stacking energy: -239.227
Base-Backbone interact. energy: -0.804
local terms energy: -264.769124
where:
bonds (distance) C4'-P energy: -53.516
bonds (distance) P-C4' energy: -53.482
flat angles C4'-P-C4' energy: -53.302
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -68.642
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: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -723.827066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.827066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.827066 (E_RNA)
where:
Base-Base interactions energy: -482.031
where: short stacking energy: -213.048
Base-Backbone interact. energy: -1.566
local terms energy: -240.230650
where:
bonds (distance) C4'-P energy: -51.159
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -49.688
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -52.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -599.424353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.424353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.424353 (E_RNA)
where:
Base-Base interactions energy: -389.318
where: short stacking energy: -169.049
Base-Backbone interact. energy: -1.436
local terms energy: -208.670687
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -39.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -565.473180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.473180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.473180 (E_RNA)
where:
Base-Base interactions energy: -365.215
where: short stacking energy: -167.550
Base-Backbone interact. energy: -1.463
local terms energy: -198.795230
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -37.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -571.172318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.172318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.172318 (E_RNA)
where:
Base-Base interactions energy: -359.110
where: short stacking energy: -156.013
Base-Backbone interact. energy: -0.865
local terms energy: -211.197720
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -44.409
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -34.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -305.325685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.325685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.325685 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.002
local terms energy: -174.460853
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -49.201
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -7.478
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -278.095296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.095296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.095296 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -74.307
Base-Backbone interact. energy: 0.455
local terms energy: -161.121543
where:
bonds (distance) C4'-P energy: -45.755
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -890.464084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.464084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.464084 (E_RNA)
where:
Base-Base interactions energy: -611.312
where: short stacking energy: -262.854
Base-Backbone interact. energy: -1.281
local terms energy: -277.871029
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -58.581
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -70.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -832.561248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.561248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.561248 (E_RNA)
where:
Base-Base interactions energy: -563.559
where: short stacking energy: -246.736
Base-Backbone interact. energy: -1.199
local terms energy: -267.803684
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -42.037
tors. eta vs tors. theta energy: -62.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -821.954213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.954213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.954213 (E_RNA)
where:
Base-Base interactions energy: -563.258
where: short stacking energy: -238.400
Base-Backbone interact. energy: -1.282
local terms energy: -257.414651
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -44.424
flat angles C4'-P-C4' energy: -58.596
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -61.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -803.407475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.407475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.407475 (E_RNA)
where:
Base-Base interactions energy: -564.581
where: short stacking energy: -219.930
Base-Backbone interact. energy: -1.551
local terms energy: -237.274962
where:
bonds (distance) C4'-P energy: -47.380
bonds (distance) P-C4' energy: -46.917
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -53.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -733.720619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.720619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.720619 (E_RNA)
where:
Base-Base interactions energy: -493.820
where: short stacking energy: -207.063
Base-Backbone interact. energy: -1.182
local terms energy: -238.718139
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -48.956
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -56.815
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: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -647.509595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.509595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.509595 (E_RNA)
where:
Base-Base interactions energy: -399.342
where: short stacking energy: -180.505
Base-Backbone interact. energy: -0.992
local terms energy: -247.175141
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -50.690
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -60.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -610.906635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.906635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.906635 (E_RNA)
where:
Base-Base interactions energy: -410.779
where: short stacking energy: -173.166
Base-Backbone interact. energy: -0.725
local terms energy: -199.402382
where:
bonds (distance) C4'-P energy: -39.985
bonds (distance) P-C4' energy: -42.239
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -37.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -598.472845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.472845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.472845 (E_RNA)
where:
Base-Base interactions energy: -399.087
where: short stacking energy: -168.018
Base-Backbone interact. energy: -0.124
local terms energy: -199.262002
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -28.190
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: 80
Temperature: 1.300000
Total energy: -300.045177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.045177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.045177 (E_RNA)
where:
Base-Base interactions energy: -129.789
where: short stacking energy: -84.886
Base-Backbone interact. energy: -0.940
local terms energy: -169.316207
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -44.307
flat angles C4'-P-C4' energy: -41.334
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -279.549570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.549570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.549570 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -83.480
Base-Backbone interact. energy: -0.917
local terms energy: -154.208627
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -45.415
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: 6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -897.559338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.559338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.559338 (E_RNA)
where:
Base-Base interactions energy: -612.987
where: short stacking energy: -238.379
Base-Backbone interact. energy: -0.077
local terms energy: -284.495729
where:
bonds (distance) C4'-P energy: -57.785
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -65.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -840.102282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.102282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.102282 (E_RNA)
where:
Base-Base interactions energy: -563.680
where: short stacking energy: -249.101
Base-Backbone interact. energy: 0.234
local terms energy: -276.656538
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -41.552
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -832.336595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.336595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.336595 (E_RNA)
where:
Base-Base interactions energy: -564.856
where: short stacking energy: -242.507
Base-Backbone interact. energy: 0.885
local terms energy: -268.365728
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -61.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -802.126177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.126177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.126177 (E_RNA)
where:
Base-Base interactions energy: -558.112
where: short stacking energy: -242.398
Base-Backbone interact. energy: -1.613
local terms energy: -242.401418
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -44.146
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -760.671796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.671796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.671796 (E_RNA)
where:
Base-Base interactions energy: -514.172
where: short stacking energy: -225.037
Base-Backbone interact. energy: -1.595
local terms energy: -244.904502
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -41.444
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -29.643
tors. eta vs tors. theta energy: -64.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -641.062979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.062979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.062979 (E_RNA)
where:
Base-Base interactions energy: -421.878
where: short stacking energy: -198.999
Base-Backbone interact. energy: 0.905
local terms energy: -220.090390
where:
bonds (distance) C4'-P energy: -46.302
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -591.815553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.815553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.815553 (E_RNA)
where:
Base-Base interactions energy: -354.246
where: short stacking energy: -167.349
Base-Backbone interact. energy: 0.799
local terms energy: -238.369465
where:
bonds (distance) C4'-P energy: -53.180
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -50.375
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -545.330044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.330044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.330044 (E_RNA)
where:
Base-Base interactions energy: -362.083
where: short stacking energy: -156.099
Base-Backbone interact. energy: -1.782
local terms energy: -181.464768
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -28.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -318.031858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.031858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.031858 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -94.715
Base-Backbone interact. energy: -1.668
local terms energy: -169.048505
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -206.815095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.815095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.815095 (E_RNA)
where:
Base-Base interactions energy: -54.432
where: short stacking energy: -44.275
Base-Backbone interact. energy: -0.232
local terms energy: -152.151860
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -60.017
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: 13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -887.330254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.330254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.330254 (E_RNA)
where:
Base-Base interactions energy: -621.453
where: short stacking energy: -254.019
Base-Backbone interact. energy: -1.075
local terms energy: -264.802144
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -46.327
flat angles C4'-P-C4' energy: -59.827
flat angles P-C4'-P energy: -41.654
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: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -850.953706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.953706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.953706 (E_RNA)
where:
Base-Base interactions energy: -590.759
where: short stacking energy: -268.024
Base-Backbone interact. energy: -1.403
local terms energy: -258.791856
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -50.790
flat angles C4'-P-C4' energy: -51.021
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -66.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -817.440015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.440015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.440015 (E_RNA)
where:
Base-Base interactions energy: -565.437
where: short stacking energy: -239.786
Base-Backbone interact. energy: -0.025
local terms energy: -251.977565
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -48.195
flat angles C4'-P-C4' energy: -58.353
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -64.622
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -792.410631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.410631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.410631 (E_RNA)
where:
Base-Base interactions energy: -550.455
where: short stacking energy: -240.970
Base-Backbone interact. energy: -0.088
local terms energy: -241.867690
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -58.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -776.254122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.254122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.254122 (E_RNA)
where:
Base-Base interactions energy: -524.045
where: short stacking energy: -225.352
Base-Backbone interact. energy: -1.208
local terms energy: -251.001110
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -57.445
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: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -663.858903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.858903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.858903 (E_RNA)
where:
Base-Base interactions energy: -444.978
where: short stacking energy: -192.428
Base-Backbone interact. energy: 0.692
local terms energy: -219.573583
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -44.420
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: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -613.465228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.465228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.465228 (E_RNA)
where:
Base-Base interactions energy: -405.774
where: short stacking energy: -179.424
Base-Backbone interact. energy: -0.788
local terms energy: -206.903270
where:
bonds (distance) C4'-P energy: -40.309
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -535.650585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.650585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.650585 (E_RNA)
where:
Base-Base interactions energy: -346.317
where: short stacking energy: -144.797
Base-Backbone interact. energy: -0.449
local terms energy: -188.884789
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -52.376
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -16.880
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -308.263254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.263254 (E_RNA)
where:
Base-Base interactions energy: -143.774
where: short stacking energy: -84.670
Base-Backbone interact. energy: 3.216
local terms energy: -167.704782
where:
bonds (distance) C4'-P energy: -55.299
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -6.849
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -222.673762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.673762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.673762 (E_RNA)
where:
Base-Base interactions energy: -77.113
where: short stacking energy: -66.313
Base-Backbone interact. energy: 0.166
local terms energy: -145.726842
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: 4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -889.079394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.079394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.079394 (E_RNA)
where:
Base-Base interactions energy: -608.177
where: short stacking energy: -238.471
Base-Backbone interact. energy: -0.946
local terms energy: -279.956895
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -63.399
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -63.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -853.429631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.429631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.429631 (E_RNA)
where:
Base-Base interactions energy: -580.472
where: short stacking energy: -260.577
Base-Backbone interact. energy: -1.462
local terms energy: -271.495408
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -65.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -814.467756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.467756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.467756 (E_RNA)
where:
Base-Base interactions energy: -556.573
where: short stacking energy: -233.349
Base-Backbone interact. energy: -1.632
local terms energy: -256.263140
where:
bonds (distance) C4'-P energy: -51.749
bonds (distance) P-C4' energy: -53.026
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -57.357
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -795.659014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.659014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.659014 (E_RNA)
where:
Base-Base interactions energy: -546.402
where: short stacking energy: -225.129
Base-Backbone interact. energy: -0.775
local terms energy: -248.482068
where:
bonds (distance) C4'-P energy: -41.340
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: -59.001
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: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -743.399234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.399234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.399234 (E_RNA)
where:
Base-Base interactions energy: -501.968
where: short stacking energy: -213.882
Base-Backbone interact. energy: -2.106
local terms energy: -239.324354
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -52.451
flat angles P-C4'-P energy: -41.507
tors. eta vs tors. theta energy: -54.603
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: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -667.425991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.425991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.425991 (E_RNA)
where:
Base-Base interactions energy: -433.222
where: short stacking energy: -201.006
Base-Backbone interact. energy: -0.052
local terms energy: -234.151480
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -39.967
tors. eta vs tors. theta energy: -42.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -625.273697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.273697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.273697 (E_RNA)
where:
Base-Base interactions energy: -402.260
where: short stacking energy: -183.522
Base-Backbone interact. energy: -1.189
local terms energy: -221.823877
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -43.332
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -50.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -558.661187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.661187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.661187 (E_RNA)
where:
Base-Base interactions energy: -348.375
where: short stacking energy: -164.085
Base-Backbone interact. energy: -1.039
local terms energy: -209.247405
where:
bonds (distance) C4'-P energy: -42.490
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -52.520
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -297.848070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.848070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.848070 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -81.193
Base-Backbone interact. energy: 0.749
local terms energy: -176.455617
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -8.060
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: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -255.952879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.952879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.952879 (E_RNA)
where:
Base-Base interactions energy: -89.125
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.529
local terms energy: -166.299671
where:
bonds (distance) C4'-P energy: -42.164
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -17.774
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: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -893.047262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.047262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.047262 (E_RNA)
where:
Base-Base interactions energy: -615.680
where: short stacking energy: -259.192
Base-Backbone interact. energy: 1.520
local terms energy: -278.886656
where:
bonds (distance) C4'-P energy: -56.566
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -38.675
tors. eta vs tors. theta energy: -70.746
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -847.118686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.118686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.118686 (E_RNA)
where:
Base-Base interactions energy: -577.630
where: short stacking energy: -253.264
Base-Backbone interact. energy: -0.850
local terms energy: -268.638443
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -60.011
flat angles P-C4'-P energy: -41.849
tors. eta vs tors. theta energy: -66.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -819.241737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.241737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.241737 (E_RNA)
where:
Base-Base interactions energy: -560.967
where: short stacking energy: -240.440
Base-Backbone interact. energy: -0.649
local terms energy: -257.625440
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -57.112
flat angles C4'-P-C4' energy: -56.205
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -58.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -788.702400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.702400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.702400 (E_RNA)
where:
Base-Base interactions energy: -538.898
where: short stacking energy: -226.895
Base-Backbone interact. energy: -1.170
local terms energy: -248.634610
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -53.831
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -54.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -717.416096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.416096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.416096 (E_RNA)
where:
Base-Base interactions energy: -492.754
where: short stacking energy: -209.413
Base-Backbone interact. energy: -1.534
local terms energy: -223.127606
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -43.443
flat angles C4'-P-C4' energy: -45.174
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -646.312820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.312820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.312820 (E_RNA)
where:
Base-Base interactions energy: -436.123
where: short stacking energy: -200.336
Base-Backbone interact. energy: -0.871
local terms energy: -209.319056
where:
bonds (distance) C4'-P energy: -37.841
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -48.522
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -593.597027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.597027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.597027 (E_RNA)
where:
Base-Base interactions energy: -380.489
where: short stacking energy: -177.143
Base-Backbone interact. energy: 2.536
local terms energy: -215.644610
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -43.220
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -49.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -528.537156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.537156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.537156 (E_RNA)
where:
Base-Base interactions energy: -338.108
where: short stacking energy: -143.306
Base-Backbone interact. energy: 0.714
local terms energy: -191.143023
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -259.438964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.438964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.438964 (E_RNA)
where:
Base-Base interactions energy: -80.682
where: short stacking energy: -69.541
Base-Backbone interact. energy: -0.688
local terms energy: -178.068551
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -11.295
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: 84
Temperature: 1.350000
Total energy: -231.325126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.325126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.325126 (E_RNA)
where:
Base-Base interactions energy: -106.457
where: short stacking energy: -74.218
Base-Backbone interact. energy: -1.766
local terms energy: -123.102444
where:
bonds (distance) C4'-P energy: -40.008
bonds (distance) P-C4' energy: -43.227
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: 7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -898.160953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.160953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.160953 (E_RNA)
where:
Base-Base interactions energy: -617.498
where: short stacking energy: -270.070
Base-Backbone interact. energy: -1.814
local terms energy: -278.848820
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -61.281
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -66.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -845.406310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.406310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.406310 (E_RNA)
where:
Base-Base interactions energy: -568.889
where: short stacking energy: -256.689
Base-Backbone interact. energy: 0.429
local terms energy: -276.945821
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -59.321
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -70.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -797.920293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.920293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.920293 (E_RNA)
where:
Base-Base interactions energy: -534.851
where: short stacking energy: -227.192
Base-Backbone interact. energy: -0.901
local terms energy: -262.168518
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -61.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -778.624847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.624847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.624847 (E_RNA)
where:
Base-Base interactions energy: -535.019
where: short stacking energy: -246.983
Base-Backbone interact. energy: -0.429
local terms energy: -243.176856
where:
bonds (distance) C4'-P energy: -42.736
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -63.241
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: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -758.434462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.434462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.434462 (E_RNA)
where:
Base-Base interactions energy: -512.347
where: short stacking energy: -222.540
Base-Backbone interact. energy: -0.743
local terms energy: -245.344602
where:
bonds (distance) C4'-P energy: -49.888
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -59.300
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -56.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -688.139759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.139759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.139759 (E_RNA)
where:
Base-Base interactions energy: -472.070
where: short stacking energy: -197.191
Base-Backbone interact. energy: 0.299
local terms energy: -216.368966
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -49.318
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -576.686734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.686734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.686734 (E_RNA)
where:
Base-Base interactions energy: -384.224
where: short stacking energy: -180.641
Base-Backbone interact. energy: -0.602
local terms energy: -191.860249
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -35.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -550.399507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.399507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.399507 (E_RNA)
where:
Base-Base interactions energy: -349.138
where: short stacking energy: -156.938
Base-Backbone interact. energy: 2.465
local terms energy: -203.726523
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -32.233
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: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -277.401080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.401080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.401080 (E_RNA)
where:
Base-Base interactions energy: -104.729
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.752
local terms energy: -171.920377
where:
bonds (distance) C4'-P energy: -44.197
bonds (distance) P-C4' energy: -45.025
flat angles C4'-P-C4' energy: -41.314
flat angles P-C4'-P energy: -33.370
tors. eta vs tors. theta energy: -8.015
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: 85
Temperature: 1.350000
Total energy: -241.170600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.170600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.170600 (E_RNA)
where:
Base-Base interactions energy: -83.401
where: short stacking energy: -73.962
Base-Backbone interact. energy: 0.561
local terms energy: -158.331225
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -45.786
flat angles C4'-P-C4' energy: -41.405
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: 7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -898.890864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.890864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.890864 (E_RNA)
where:
Base-Base interactions energy: -632.022
where: short stacking energy: -259.317
Base-Backbone interact. energy: -0.149
local terms energy: -266.719698
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -58.919
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -848.341594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.341594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.341594 (E_RNA)
where:
Base-Base interactions energy: -588.725
where: short stacking energy: -272.387
Base-Backbone interact. energy: 0.078
local terms energy: -259.694667
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -53.444
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -833.064291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.064291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.064291 (E_RNA)
where:
Base-Base interactions energy: -564.436
where: short stacking energy: -242.371
Base-Backbone interact. energy: -1.583
local terms energy: -267.045462
where:
bonds (distance) C4'-P energy: -56.125
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -65.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -776.078443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.078443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.078443 (E_RNA)
where:
Base-Base interactions energy: -525.755
where: short stacking energy: -245.032
Base-Backbone interact. energy: -0.267
local terms energy: -250.056184
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -52.796
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -64.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -763.671967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.671967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.671967 (E_RNA)
where:
Base-Base interactions energy: -522.880
where: short stacking energy: -224.387
Base-Backbone interact. energy: 0.801
local terms energy: -241.592700
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -44.930
flat angles C4'-P-C4' energy: -47.941
flat angles P-C4'-P energy: -38.971
tors. eta vs tors. theta energy: -63.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -704.071613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.071613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.071613 (E_RNA)
where:
Base-Base interactions energy: -494.479
where: short stacking energy: -226.942
Base-Backbone interact. energy: 0.393
local terms energy: -209.986355
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -58.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -603.693082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.693082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.693082 (E_RNA)
where:
Base-Base interactions energy: -416.434
where: short stacking energy: -184.954
Base-Backbone interact. energy: 3.860
local terms energy: -191.119347
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -33.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -536.882137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.882137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.882137 (E_RNA)
where:
Base-Base interactions energy: -366.840
where: short stacking energy: -180.877
Base-Backbone interact. energy: -0.149
local terms energy: -169.893238
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -34.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -274.219813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.219813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.219813 (E_RNA)
where:
Base-Base interactions energy: -124.107
where: short stacking energy: -80.309
Base-Backbone interact. energy: 5.304
local terms energy: -155.416169
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -232.964309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.964309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.964309 (E_RNA)
where:
Base-Base interactions energy: -87.095
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.702
local terms energy: -145.167820
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -52.241
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -906.279921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.279921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.279921 (E_RNA)
where:
Base-Base interactions energy: -624.465
where: short stacking energy: -267.773
Base-Backbone interact. energy: -2.411
local terms energy: -279.404250
where:
bonds (distance) C4'-P energy: -51.516
bonds (distance) P-C4' energy: -58.631
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: -72.294
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: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -852.699813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.699813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.699813 (E_RNA)
where:
Base-Base interactions energy: -588.069
where: short stacking energy: -260.070
Base-Backbone interact. energy: -0.994
local terms energy: -263.636410
where:
bonds (distance) C4'-P energy: -50.953
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -63.235
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -60.749
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -802.518064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.518064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.518064 (E_RNA)
where:
Base-Base interactions energy: -545.974
where: short stacking energy: -228.720
Base-Backbone interact. energy: -0.466
local terms energy: -256.077997
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -58.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -775.886405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.886405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.886405 (E_RNA)
where:
Base-Base interactions energy: -524.794
where: short stacking energy: -222.121
Base-Backbone interact. energy: -1.072
local terms energy: -250.020416
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -62.515
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: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -782.083871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.083871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.083871 (E_RNA)
where:
Base-Base interactions energy: -543.524
where: short stacking energy: -206.230
Base-Backbone interact. energy: 3.086
local terms energy: -241.646616
where:
bonds (distance) C4'-P energy: -44.165
bonds (distance) P-C4' energy: -52.584
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -53.054
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: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -698.170534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.170534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.170534 (E_RNA)
where:
Base-Base interactions energy: -474.288
where: short stacking energy: -216.100
Base-Backbone interact. energy: 0.636
local terms energy: -224.518363
where:
bonds (distance) C4'-P energy: -49.439
bonds (distance) P-C4' energy: -43.819
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -55.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -645.508895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.508895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.508895 (E_RNA)
where:
Base-Base interactions energy: -422.055
where: short stacking energy: -195.008
Base-Backbone interact. energy: -0.621
local terms energy: -222.832240
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -41.932
flat angles P-C4'-P energy: -34.860
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: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -549.632203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.632203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.632203 (E_RNA)
where:
Base-Base interactions energy: -354.501
where: short stacking energy: -161.890
Base-Backbone interact. energy: -2.268
local terms energy: -192.863345
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -44.123
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: -33.788
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: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -291.134670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.134670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.134670 (E_RNA)
where:
Base-Base interactions energy: -137.148
where: short stacking energy: -72.058
Base-Backbone interact. energy: 1.407
local terms energy: -155.394154
where:
bonds (distance) C4'-P energy: -44.282
bonds (distance) P-C4' energy: -41.408
flat angles C4'-P-C4' energy: -39.493
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -227.683998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.683998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.683998 (E_RNA)
where:
Base-Base interactions energy: -80.996
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.148
local terms energy: -146.539914
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -24.777
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -865.214751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.214751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.214751 (E_RNA)
where:
Base-Base interactions energy: -601.257
where: short stacking energy: -263.771
Base-Backbone interact. energy: -0.830
local terms energy: -263.128448
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -54.197
flat angles C4'-P-C4' energy: -54.834
flat angles P-C4'-P energy: -38.150
tors. eta vs tors. theta energy: -68.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -837.862030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.862030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.862030 (E_RNA)
where:
Base-Base interactions energy: -572.444
where: short stacking energy: -261.458
Base-Backbone interact. energy: -1.160
local terms energy: -264.258196
where:
bonds (distance) C4'-P energy: -44.256
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -41.174
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -807.485303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.485303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.485303 (E_RNA)
where:
Base-Base interactions energy: -548.054
where: short stacking energy: -232.379
Base-Backbone interact. energy: -1.555
local terms energy: -257.876223
where:
bonds (distance) C4'-P energy: -51.743
bonds (distance) P-C4' energy: -51.644
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: -64.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -781.894138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.894138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.894138 (E_RNA)
where:
Base-Base interactions energy: -536.496
where: short stacking energy: -230.073
Base-Backbone interact. energy: -0.532
local terms energy: -244.865350
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -55.742
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -53.275
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -759.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.599741 (E_RNA)
where:
Base-Base interactions energy: -506.302
where: short stacking energy: -216.827
Base-Backbone interact. energy: -0.259
local terms energy: -253.038732
where:
bonds (distance) C4'-P energy: -51.613
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -66.110
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: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -719.857870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.857870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.857870 (E_RNA)
where:
Base-Base interactions energy: -492.754
where: short stacking energy: -200.228
Base-Backbone interact. energy: 0.166
local terms energy: -227.270620
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -35.094
tors. eta vs tors. theta energy: -48.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -641.667125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.667125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.667125 (E_RNA)
where:
Base-Base interactions energy: -439.417
where: short stacking energy: -191.554
Base-Backbone interact. energy: -0.661
local terms energy: -201.588826
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -538.018333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.018333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.018333 (E_RNA)
where:
Base-Base interactions energy: -338.057
where: short stacking energy: -154.872
Base-Backbone interact. energy: 1.755
local terms energy: -201.716571
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -43.971
flat angles C4'-P-C4' energy: -47.682
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -28.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -238.104224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.104224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.104224 (E_RNA)
where:
Base-Base interactions energy: -85.928
where: short stacking energy: -80.827
Base-Backbone interact. energy: 0.104
local terms energy: -152.281158
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: 7.182
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: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -228.974019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974019 (E_RNA)
where:
Base-Base interactions energy: -85.043
where: short stacking energy: -64.175
Base-Backbone interact. energy: -1.676
local terms energy: -142.255338
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -53.156
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: 6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -878.923276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.923276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.923276 (E_RNA)
where:
Base-Base interactions energy: -593.469
where: short stacking energy: -249.006
Base-Backbone interact. energy: -0.295
local terms energy: -285.159318
where:
bonds (distance) C4'-P energy: -53.712
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -65.000
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -71.418
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: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -835.659590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.659590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.659590 (E_RNA)
where:
Base-Base interactions energy: -564.569
where: short stacking energy: -241.517
Base-Backbone interact. energy: -0.954
local terms energy: -270.136116
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -58.449
flat angles C4'-P-C4' energy: -53.653
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -70.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -787.703269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.703269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.703269 (E_RNA)
where:
Base-Base interactions energy: -531.816
where: short stacking energy: -237.610
Base-Backbone interact. energy: -2.414
local terms energy: -253.473975
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -68.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -799.426863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.426863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.426863 (E_RNA)
where:
Base-Base interactions energy: -538.092
where: short stacking energy: -230.854
Base-Backbone interact. energy: 0.009
local terms energy: -261.344073
where:
bonds (distance) C4'-P energy: -46.050
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -65.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -760.039776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.039776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.039776 (E_RNA)
where:
Base-Base interactions energy: -519.579
where: short stacking energy: -231.891
Base-Backbone interact. energy: 1.942
local terms energy: -242.402675
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -53.140
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -659.167403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.167403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.167403 (E_RNA)
where:
Base-Base interactions energy: -435.642
where: short stacking energy: -192.101
Base-Backbone interact. energy: 1.389
local terms energy: -224.914859
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -53.995
flat angles C4'-P-C4' energy: -51.103
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -40.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -648.538187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.538187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.538187 (E_RNA)
where:
Base-Base interactions energy: -448.561
where: short stacking energy: -187.597
Base-Backbone interact. energy: 4.295
local terms energy: -204.271995
where:
bonds (distance) C4'-P energy: -38.883
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -30.616
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -565.226158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.226158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.226158 (E_RNA)
where:
Base-Base interactions energy: -347.063
where: short stacking energy: -155.982
Base-Backbone interact. energy: 1.433
local terms energy: -219.596001
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -51.214
flat angles C4'-P-C4' energy: -49.391
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -236.878246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.878246 (E_RNA)
where:
Base-Base interactions energy: -89.135
where: short stacking energy: -63.201
Base-Backbone interact. energy: -1.553
local terms energy: -146.189540
where:
bonds (distance) C4'-P energy: -44.669
bonds (distance) P-C4' energy: -48.849
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: 7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -226.882517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.882517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.882517 (E_RNA)
where:
Base-Base interactions energy: -85.899
where: short stacking energy: -69.051
Base-Backbone interact. energy: 1.252
local terms energy: -142.236282
where:
bonds (distance) C4'-P energy: -38.296
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -897.670327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.670327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.670327 (E_RNA)
where:
Base-Base interactions energy: -627.925
where: short stacking energy: -244.387
Base-Backbone interact. energy: 0.980
local terms energy: -270.726030
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -59.378
flat angles C4'-P-C4' energy: -54.958
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -67.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -836.313505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.313505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.313505 (E_RNA)
where:
Base-Base interactions energy: -575.045
where: short stacking energy: -250.646
Base-Backbone interact. energy: 0.195
local terms energy: -261.463106
where:
bonds (distance) C4'-P energy: -47.764
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -56.653
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -70.862
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: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -790.889331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.889331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.889331 (E_RNA)
where:
Base-Base interactions energy: -528.183
where: short stacking energy: -230.798
Base-Backbone interact. energy: -0.426
local terms energy: -262.280093
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -63.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -789.918977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.918977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.918977 (E_RNA)
where:
Base-Base interactions energy: -529.947
where: short stacking energy: -240.499
Base-Backbone interact. energy: -1.183
local terms energy: -258.788341
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -67.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -739.794620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.794620 (E_RNA)
where:
Base-Base interactions energy: -506.765
where: short stacking energy: -205.170
Base-Backbone interact. energy: -1.019
local terms energy: -232.010740
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -55.350
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -49.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -654.824637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.824637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.824637 (E_RNA)
where:
Base-Base interactions energy: -433.565
where: short stacking energy: -170.529
Base-Backbone interact. energy: -0.032
local terms energy: -221.227489
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -44.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -660.026136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.026136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.026136 (E_RNA)
where:
Base-Base interactions energy: -442.058
where: short stacking energy: -186.737
Base-Backbone interact. energy: -1.266
local terms energy: -216.702254
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -49.168
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -48.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -527.537141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.537141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.537141 (E_RNA)
where:
Base-Base interactions energy: -321.049
where: short stacking energy: -146.472
Base-Backbone interact. energy: -3.603
local terms energy: -202.885290
where:
bonds (distance) C4'-P energy: -45.963
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -27.639
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -246.420198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.420198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.420198 (E_RNA)
where:
Base-Base interactions energy: -88.425
where: short stacking energy: -61.309
Base-Backbone interact. energy: 1.236
local terms energy: -159.231066
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: 0.754
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: 90
Temperature: 1.350000
Total energy: -255.097629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.097629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.097629 (E_RNA)
where:
Base-Base interactions energy: -100.207
where: short stacking energy: -65.249
Base-Backbone interact. energy: -1.245
local terms energy: -153.645853
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -47.139
flat angles C4'-P-C4' energy: -42.636
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -908.544848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.544848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.544848 (E_RNA)
where:
Base-Base interactions energy: -623.637
where: short stacking energy: -253.956
Base-Backbone interact. energy: -0.265
local terms energy: -284.641999
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -60.675
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: -75.271
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: 91
Temperature: 0.950000
Total energy: -825.052073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.052073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.052073 (E_RNA)
where:
Base-Base interactions energy: -547.417
where: short stacking energy: -239.941
Base-Backbone interact. energy: -0.304
local terms energy: -277.330301
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -60.605
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -65.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -830.359091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.359091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.359091 (E_RNA)
where:
Base-Base interactions energy: -546.136
where: short stacking energy: -235.247
Base-Backbone interact. energy: -1.293
local terms energy: -282.929899
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -60.360
flat angles P-C4'-P energy: -43.144
tors. eta vs tors. theta energy: -64.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -767.983242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.983242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.983242 (E_RNA)
where:
Base-Base interactions energy: -539.731
where: short stacking energy: -233.036
Base-Backbone interact. energy: -0.834
local terms energy: -227.418489
where:
bonds (distance) C4'-P energy: -50.536
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -55.380
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -55.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -758.631823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.631823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.631823 (E_RNA)
where:
Base-Base interactions energy: -516.563
where: short stacking energy: -223.557
Base-Backbone interact. energy: -0.515
local terms energy: -241.554068
where:
bonds (distance) C4'-P energy: -46.884
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -56.280
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -49.468
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: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -710.981288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.981288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.981288 (E_RNA)
where:
Base-Base interactions energy: -494.501
where: short stacking energy: -217.563
Base-Backbone interact. energy: 0.367
local terms energy: -216.846687
where:
bonds (distance) C4'-P energy: -38.638
bonds (distance) P-C4' energy: -38.080
flat angles C4'-P-C4' energy: -46.887
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -54.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -642.825570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.825570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.825570 (E_RNA)
where:
Base-Base interactions energy: -441.427
where: short stacking energy: -198.025
Base-Backbone interact. energy: 1.552
local terms energy: -202.950840
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -51.244
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -49.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -518.712616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.712616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.712616 (E_RNA)
where:
Base-Base interactions energy: -326.513
where: short stacking energy: -153.058
Base-Backbone interact. energy: -2.055
local terms energy: -190.145315
where:
bonds (distance) C4'-P energy: -45.379
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -28.528
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: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -246.744739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.744739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.744739 (E_RNA)
where:
Base-Base interactions energy: -98.666
where: short stacking energy: -72.342
Base-Backbone interact. energy: -0.538
local terms energy: -147.540657
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -52.089
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -25.415
tors. eta vs tors. theta energy: -0.776
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: 91
Temperature: 1.350000
Total energy: -243.043862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.043862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.043862 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -90.433
Base-Backbone interact. energy: -0.938
local terms energy: -151.285956
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -884.808293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.808293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.808293 (E_RNA)
where:
Base-Base interactions energy: -613.752
where: short stacking energy: -259.280
Base-Backbone interact. energy: -1.574
local terms energy: -269.481868
where:
bonds (distance) C4'-P energy: -53.030
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -70.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -840.194453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.194453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.194453 (E_RNA)
where:
Base-Base interactions energy: -575.727
where: short stacking energy: -249.503
Base-Backbone interact. energy: 0.615
local terms energy: -265.081813
where:
bonds (distance) C4'-P energy: -52.565
bonds (distance) P-C4' energy: -53.953
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -58.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -818.996555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.996555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.996555 (E_RNA)
where:
Base-Base interactions energy: -555.524
where: short stacking energy: -240.788
Base-Backbone interact. energy: 0.384
local terms energy: -263.856650
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -41.644
tors. eta vs tors. theta energy: -69.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -767.496419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.496419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.496419 (E_RNA)
where:
Base-Base interactions energy: -523.993
where: short stacking energy: -229.832
Base-Backbone interact. energy: -0.780
local terms energy: -242.723186
where:
bonds (distance) C4'-P energy: -40.308
bonds (distance) P-C4' energy: -50.328
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -63.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -746.031887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.031887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.031887 (E_RNA)
where:
Base-Base interactions energy: -520.640
where: short stacking energy: -219.068
Base-Backbone interact. energy: -1.988
local terms energy: -223.403560
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -47.642
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -56.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -676.014797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.014797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.014797 (E_RNA)
where:
Base-Base interactions energy: -435.818
where: short stacking energy: -184.013
Base-Backbone interact. energy: -0.465
local terms energy: -239.732626
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -50.879
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: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -643.118993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.118993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.118993 (E_RNA)
where:
Base-Base interactions energy: -434.421
where: short stacking energy: -178.515
Base-Backbone interact. energy: -0.474
local terms energy: -208.224318
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -38.294
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: 92
Temperature: 1.250000
Total energy: -554.585775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.585775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.585775 (E_RNA)
where:
Base-Base interactions energy: -352.995
where: short stacking energy: -155.544
Base-Backbone interact. energy: -0.934
local terms energy: -200.656497
where:
bonds (distance) C4'-P energy: -48.289
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -32.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -288.886786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.886786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.886786 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -80.247
Base-Backbone interact. energy: -0.092
local terms energy: -164.630084
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -26.414
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -239.551682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.551682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.551682 (E_RNA)
where:
Base-Base interactions energy: -96.397
where: short stacking energy: -80.622
Base-Backbone interact. energy: -0.215
local terms energy: -142.940404
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -0.395
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: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -902.196864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.196864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.196864 (E_RNA)
where:
Base-Base interactions energy: -623.044
where: short stacking energy: -252.242
Base-Backbone interact. energy: 0.475
local terms energy: -279.627588
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -55.827
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -75.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -821.122097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.122097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.122097 (E_RNA)
where:
Base-Base interactions energy: -553.518
where: short stacking energy: -242.785
Base-Backbone interact. energy: -0.317
local terms energy: -267.286272
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -54.311
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -60.431
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: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -818.929901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.929901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.929901 (E_RNA)
where:
Base-Base interactions energy: -556.740
where: short stacking energy: -243.264
Base-Backbone interact. energy: -1.900
local terms energy: -260.290204
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -56.643
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -61.035
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -781.900877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.900877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.900877 (E_RNA)
where:
Base-Base interactions energy: -542.809
where: short stacking energy: -240.231
Base-Backbone interact. energy: 0.732
local terms energy: -239.824137
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -50.455
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -62.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -761.939455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.939455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.939455 (E_RNA)
where:
Base-Base interactions energy: -513.520
where: short stacking energy: -218.365
Base-Backbone interact. energy: 0.269
local terms energy: -248.688611
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -60.254
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -56.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -713.538397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.538397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.538397 (E_RNA)
where:
Base-Base interactions energy: -475.661
where: short stacking energy: -209.379
Base-Backbone interact. energy: 0.837
local terms energy: -238.714406
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -51.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -635.750816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.750816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.750816 (E_RNA)
where:
Base-Base interactions energy: -422.633
where: short stacking energy: -175.911
Base-Backbone interact. energy: -0.619
local terms energy: -212.497882
where:
bonds (distance) C4'-P energy: -46.907
bonds (distance) P-C4' energy: -42.959
flat angles C4'-P-C4' energy: -44.944
flat angles P-C4'-P energy: -29.627
tors. eta vs tors. theta energy: -48.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -537.276321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.276321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.276321 (E_RNA)
where:
Base-Base interactions energy: -329.888
where: short stacking energy: -147.755
Base-Backbone interact. energy: -0.544
local terms energy: -206.844467
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -35.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -232.641211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.641211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.641211 (E_RNA)
where:
Base-Base interactions energy: -85.056
where: short stacking energy: -72.430
Base-Backbone interact. energy: 1.995
local terms energy: -149.580018
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -46.007
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: 8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -262.340169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.340169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.340169 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -63.364
Base-Backbone interact. energy: -1.163
local terms energy: -133.940519
where:
bonds (distance) C4'-P energy: -36.919
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: 11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -902.453794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.453794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.453794 (E_RNA)
where:
Base-Base interactions energy: -635.587
where: short stacking energy: -264.415
Base-Backbone interact. energy: -0.559
local terms energy: -266.307389
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -62.451
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: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -838.576173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.576173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.576173 (E_RNA)
where:
Base-Base interactions energy: -573.196
where: short stacking energy: -246.664
Base-Backbone interact. energy: -0.368
local terms energy: -265.011797
where:
bonds (distance) C4'-P energy: -53.030
bonds (distance) P-C4' energy: -53.487
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -58.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -793.873755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.873755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.873755 (E_RNA)
where:
Base-Base interactions energy: -539.417
where: short stacking energy: -235.986
Base-Backbone interact. energy: 1.338
local terms energy: -255.794459
where:
bonds (distance) C4'-P energy: -49.301
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -54.074
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -68.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -798.418755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.418755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.418755 (E_RNA)
where:
Base-Base interactions energy: -536.267
where: short stacking energy: -234.267
Base-Backbone interact. energy: -0.746
local terms energy: -261.406240
where:
bonds (distance) C4'-P energy: -55.007
bonds (distance) P-C4' energy: -55.525
flat angles C4'-P-C4' energy: -62.462
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -58.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -722.599643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.599643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.599643 (E_RNA)
where:
Base-Base interactions energy: -490.960
where: short stacking energy: -207.329
Base-Backbone interact. energy: -0.551
local terms energy: -231.088872
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -48.777
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -50.249
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -677.782113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.782113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.782113 (E_RNA)
where:
Base-Base interactions energy: -461.616
where: short stacking energy: -202.827
Base-Backbone interact. energy: -0.781
local terms energy: -215.385284
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -44.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -648.291376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.291376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.291376 (E_RNA)
where:
Base-Base interactions energy: -432.165
where: short stacking energy: -182.879
Base-Backbone interact. energy: -2.825
local terms energy: -213.301542
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -45.543
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -30.380
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: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -608.391308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.391308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.391308 (E_RNA)
where:
Base-Base interactions energy: -411.708
where: short stacking energy: -179.931
Base-Backbone interact. energy: -3.420
local terms energy: -193.262364
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -41.408
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -37.587
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: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -240.053168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.053168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.053168 (E_RNA)
where:
Base-Base interactions energy: -80.423
where: short stacking energy: -72.204
Base-Backbone interact. energy: -1.415
local terms energy: -158.214728
where:
bonds (distance) C4'-P energy: -38.213
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -224.458812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.458812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.458812 (E_RNA)
where:
Base-Base interactions energy: -76.284
where: short stacking energy: -62.247
Base-Backbone interact. energy: 2.654
local terms energy: -150.828838
where:
bonds (distance) C4'-P energy: -43.696
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -38.580
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -904.569242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.569242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.569242 (E_RNA)
where:
Base-Base interactions energy: -621.753
where: short stacking energy: -268.979
Base-Backbone interact. energy: 1.291
local terms energy: -284.106701
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -48.710
tors. eta vs tors. theta energy: -76.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -829.581429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.581429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.581429 (E_RNA)
where:
Base-Base interactions energy: -573.352
where: short stacking energy: -250.200
Base-Backbone interact. energy: 0.844
local terms energy: -257.073112
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -62.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -831.346407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.346407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.346407 (E_RNA)
where:
Base-Base interactions energy: -579.955
where: short stacking energy: -249.869
Base-Backbone interact. energy: -0.800
local terms energy: -250.590978
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -38.378
flat angles C4'-P-C4' energy: -51.664
flat angles P-C4'-P energy: -47.166
tors. eta vs tors. theta energy: -69.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -783.323403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.323403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.323403 (E_RNA)
where:
Base-Base interactions energy: -548.503
where: short stacking energy: -229.590
Base-Backbone interact. energy: 6.887
local terms energy: -241.707091
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -47.039
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -60.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -701.798446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.798446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.798446 (E_RNA)
where:
Base-Base interactions energy: -475.724
where: short stacking energy: -197.311
Base-Backbone interact. energy: -1.335
local terms energy: -224.739044
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -41.836
flat angles C4'-P-C4' energy: -53.196
flat angles P-C4'-P energy: -38.059
tors. eta vs tors. theta energy: -44.917
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: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -692.016391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.016391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.016391 (E_RNA)
where:
Base-Base interactions energy: -472.924
where: short stacking energy: -199.098
Base-Backbone interact. energy: -0.013
local terms energy: -219.080288
where:
bonds (distance) C4'-P energy: -39.314
bonds (distance) P-C4' energy: -45.462
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -44.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -654.242126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.242126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.242126 (E_RNA)
where:
Base-Base interactions energy: -443.177
where: short stacking energy: -197.051
Base-Backbone interact. energy: -1.333
local terms energy: -209.732128
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -585.878714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.878714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.878714 (E_RNA)
where:
Base-Base interactions energy: -387.247
where: short stacking energy: -184.043
Base-Backbone interact. energy: -0.281
local terms energy: -198.350406
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -46.057
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -38.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -265.404466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.404466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.404466 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -72.815
Base-Backbone interact. energy: 0.099
local terms energy: -156.457377
where:
bonds (distance) C4'-P energy: -47.555
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -39.361
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: 4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -220.601168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.601168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.601168 (E_RNA)
where:
Base-Base interactions energy: -65.339
where: short stacking energy: -50.223
Base-Backbone interact. energy: 1.953
local terms energy: -157.214851
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -49.635
flat angles C4'-P-C4' energy: -35.267
flat angles P-C4'-P energy: -34.813
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -889.467732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.467732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.467732 (E_RNA)
where:
Base-Base interactions energy: -610.140
where: short stacking energy: -268.279
Base-Backbone interact. energy: -1.175
local terms energy: -278.152836
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -75.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -840.919923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.919923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.919923 (E_RNA)
where:
Base-Base interactions energy: -580.736
where: short stacking energy: -252.018
Base-Backbone interact. energy: -1.321
local terms energy: -258.863062
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -62.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -796.530338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.530338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.530338 (E_RNA)
where:
Base-Base interactions energy: -529.978
where: short stacking energy: -242.657
Base-Backbone interact. energy: -2.399
local terms energy: -264.153028
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -55.741
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -66.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -811.981208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.981208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.981208 (E_RNA)
where:
Base-Base interactions energy: -566.073
where: short stacking energy: -232.124
Base-Backbone interact. energy: -1.630
local terms energy: -244.278530
where:
bonds (distance) C4'-P energy: -38.563
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -59.237
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -65.822
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: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -740.783559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.783559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.783559 (E_RNA)
where:
Base-Base interactions energy: -499.150
where: short stacking energy: -200.127
Base-Backbone interact. energy: -1.809
local terms energy: -239.824694
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -57.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -702.240701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.240701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.240701 (E_RNA)
where:
Base-Base interactions energy: -475.860
where: short stacking energy: -205.912
Base-Backbone interact. energy: -0.097
local terms energy: -226.283460
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -48.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -645.601961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.601961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.601961 (E_RNA)
where:
Base-Base interactions energy: -436.121
where: short stacking energy: -188.884
Base-Backbone interact. energy: -0.132
local terms energy: -209.348847
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -53.591
flat angles P-C4'-P energy: -29.500
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: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -587.623483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.623483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.623483 (E_RNA)
where:
Base-Base interactions energy: -390.821
where: short stacking energy: -173.586
Base-Backbone interact. energy: -0.970
local terms energy: -195.832507
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -44.069
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -39.210
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: 96
Temperature: 1.300000
Total energy: -238.398076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.398076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.398076 (E_RNA)
where:
Base-Base interactions energy: -84.987
where: short stacking energy: -67.653
Base-Backbone interact. energy: 3.608
local terms energy: -157.018565
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: 1.604
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: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -238.272811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.272811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.272811 (E_RNA)
where:
Base-Base interactions energy: -106.451
where: short stacking energy: -83.747
Base-Backbone interact. energy: -1.395
local terms energy: -130.427144
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -34.458
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: 11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -902.187634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.187634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.187634 (E_RNA)
where:
Base-Base interactions energy: -620.315
where: short stacking energy: -258.687
Base-Backbone interact. energy: 0.432
local terms energy: -282.304754
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -51.739
flat angles C4'-P-C4' energy: -61.289
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -69.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -835.835298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.835298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.835298 (E_RNA)
where:
Base-Base interactions energy: -569.881
where: short stacking energy: -239.901
Base-Backbone interact. energy: -3.006
local terms energy: -262.948275
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -785.936329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.936329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.936329 (E_RNA)
where:
Base-Base interactions energy: -543.753
where: short stacking energy: -237.290
Base-Backbone interact. energy: -2.250
local terms energy: -239.933042
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -54.312
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -36.965
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -789.838799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.838799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.838799 (E_RNA)
where:
Base-Base interactions energy: -536.266
where: short stacking energy: -219.222
Base-Backbone interact. energy: -0.132
local terms energy: -253.440426
where:
bonds (distance) C4'-P energy: -47.070
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -61.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -766.009970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.009970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.009970 (E_RNA)
where:
Base-Base interactions energy: -520.931
where: short stacking energy: -233.366
Base-Backbone interact. energy: -1.726
local terms energy: -243.353112
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -52.027
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -63.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -718.077636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.077636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.077636 (E_RNA)
where:
Base-Base interactions energy: -491.093
where: short stacking energy: -193.690
Base-Backbone interact. energy: 0.374
local terms energy: -227.359531
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -54.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -637.559993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.559993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.559993 (E_RNA)
where:
Base-Base interactions energy: -424.098
where: short stacking energy: -182.822
Base-Backbone interact. energy: 0.192
local terms energy: -213.653827
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -31.160
tors. eta vs tors. theta energy: -46.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -589.010184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.010184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.010184 (E_RNA)
where:
Base-Base interactions energy: -386.029
where: short stacking energy: -164.699
Base-Backbone interact. energy: -0.626
local terms energy: -202.355633
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -48.544
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -37.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -259.155289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.155289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.155289 (E_RNA)
where:
Base-Base interactions energy: -85.199
where: short stacking energy: -81.269
Base-Backbone interact. energy: -0.738
local terms energy: -173.217475
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -232.508743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.508743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.508743 (E_RNA)
where:
Base-Base interactions energy: -76.022
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.908
local terms energy: -155.578851
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -48.349
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: 3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -913.487810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.487810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.487810 (E_RNA)
where:
Base-Base interactions energy: -620.509
where: short stacking energy: -256.190
Base-Backbone interact. energy: -0.393
local terms energy: -292.584982
where:
bonds (distance) C4'-P energy: -54.604
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -45.150
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: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -852.843404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.843404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.843404 (E_RNA)
where:
Base-Base interactions energy: -580.460
where: short stacking energy: -248.164
Base-Backbone interact. energy: -0.480
local terms energy: -271.903267
where:
bonds (distance) C4'-P energy: -51.831
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -62.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -845.332497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.332497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.332497 (E_RNA)
where:
Base-Base interactions energy: -573.896
where: short stacking energy: -243.661
Base-Backbone interact. energy: -2.151
local terms energy: -269.285019
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -56.954
flat angles P-C4'-P energy: -37.022
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -761.413365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.413365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.413365 (E_RNA)
where:
Base-Base interactions energy: -509.440
where: short stacking energy: -225.872
Base-Backbone interact. energy: -2.035
local terms energy: -249.937846
where:
bonds (distance) C4'-P energy: -47.911
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -66.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -755.579199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.579199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.579199 (E_RNA)
where:
Base-Base interactions energy: -506.501
where: short stacking energy: -232.007
Base-Backbone interact. energy: -0.697
local terms energy: -248.381633
where:
bonds (distance) C4'-P energy: -49.041
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -35.780
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -716.019431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.019431 (E_RNA)
where:
Base-Base interactions energy: -488.866
where: short stacking energy: -209.649
Base-Backbone interact. energy: -0.065
local terms energy: -227.089252
where:
bonds (distance) C4'-P energy: -39.595
bonds (distance) P-C4' energy: -51.062
flat angles C4'-P-C4' energy: -52.752
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -53.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -675.003291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.003291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.003291 (E_RNA)
where:
Base-Base interactions energy: -464.410
where: short stacking energy: -217.750
Base-Backbone interact. energy: 1.229
local terms energy: -211.822136
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -47.907
flat angles P-C4'-P energy: -30.189
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -559.739392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.739392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.739392 (E_RNA)
where:
Base-Base interactions energy: -363.717
where: short stacking energy: -183.661
Base-Backbone interact. energy: -0.976
local terms energy: -195.045958
where:
bonds (distance) C4'-P energy: -36.961
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -46.151
flat angles P-C4'-P energy: -29.218
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -244.528745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.528745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.528745 (E_RNA)
where:
Base-Base interactions energy: -92.900
where: short stacking energy: -81.327
Base-Backbone interact. energy: 2.655
local terms energy: -154.283094
where:
bonds (distance) C4'-P energy: -40.925
bonds (distance) P-C4' energy: -52.654
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: 2.174
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: 98
Temperature: 1.350000
Total energy: -208.174508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.174508 (E_RNA)
where:
Base-Base interactions energy: -68.108
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.486
local terms energy: -139.580452
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: 10.152
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -912.263767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.263767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.263767 (E_RNA)
where:
Base-Base interactions energy: -636.931
where: short stacking energy: -266.343
Base-Backbone interact. energy: -1.299
local terms energy: -274.033365
where:
bonds (distance) C4'-P energy: -56.411
bonds (distance) P-C4' energy: -46.156
flat angles C4'-P-C4' energy: -64.306
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -66.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -892.306765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.306765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.306765 (E_RNA)
where:
Base-Base interactions energy: -627.624
where: short stacking energy: -256.779
Base-Backbone interact. energy: -2.012
local terms energy: -262.671026
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -50.052
flat angles C4'-P-C4' energy: -53.824
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -62.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -817.983850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.983850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.983850 (E_RNA)
where:
Base-Base interactions energy: -563.288
where: short stacking energy: -244.538
Base-Backbone interact. energy: 5.786
local terms energy: -260.481782
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -67.495
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: 99
Temperature: 1.050000
Total energy: -778.038029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.038029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.038029 (E_RNA)
where:
Base-Base interactions energy: -517.550
where: short stacking energy: -237.694
Base-Backbone interact. energy: -1.377
local terms energy: -259.110989
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -52.945
flat angles C4'-P-C4' energy: -52.784
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -67.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -759.376443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.376443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.376443 (E_RNA)
where:
Base-Base interactions energy: -515.659
where: short stacking energy: -227.048
Base-Backbone interact. energy: 0.561
local terms energy: -244.278098
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -46.435
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -54.932
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: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -707.238978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.238978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.238978 (E_RNA)
where:
Base-Base interactions energy: -497.027
where: short stacking energy: -194.421
Base-Backbone interact. energy: 0.804
local terms energy: -211.016624
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -700.879760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.879760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.879760 (E_RNA)
where:
Base-Base interactions energy: -461.657
where: short stacking energy: -185.131
Base-Backbone interact. energy: -3.213
local terms energy: -236.009290
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -51.191
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -40.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -553.880266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.880266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.880266 (E_RNA)
where:
Base-Base interactions energy: -360.543
where: short stacking energy: -163.873
Base-Backbone interact. energy: 0.138
local terms energy: -193.474769
where:
bonds (distance) C4'-P energy: -44.268
bonds (distance) P-C4' energy: -52.058
flat angles C4'-P-C4' energy: -44.656
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -254.492060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.492060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.492060 (E_RNA)
where:
Base-Base interactions energy: -95.974
where: short stacking energy: -88.766
Base-Backbone interact. energy: -0.645
local terms energy: -157.873034
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -210.606823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.606823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.606823 (E_RNA)
where:
Base-Base interactions energy: -76.190
where: short stacking energy: -67.996
Base-Backbone interact. energy: 2.697
local terms energy: -137.113712
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -34.405
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -1.047
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: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -897.981929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.981929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.981929 (E_RNA)
where:
Base-Base interactions energy: -629.391
where: short stacking energy: -262.868
Base-Backbone interact. energy: -0.873
local terms energy: -267.716947
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -64.979
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -72.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -877.195896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.195896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.195896 (E_RNA)
where:
Base-Base interactions energy: -614.366
where: short stacking energy: -273.895
Base-Backbone interact. energy: -1.942
local terms energy: -260.887441
where:
bonds (distance) C4'-P energy: -41.469
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -73.141
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: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -806.214937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.214937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.214937 (E_RNA)
where:
Base-Base interactions energy: -541.876
where: short stacking energy: -249.732
Base-Backbone interact. energy: -0.994
local terms energy: -263.345670
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -69.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -754.916364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.916364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.916364 (E_RNA)
where:
Base-Base interactions energy: -510.504
where: short stacking energy: -228.801
Base-Backbone interact. energy: -1.578
local terms energy: -242.834196
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -49.180
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -61.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -762.716794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.716794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.716794 (E_RNA)
where:
Base-Base interactions energy: -509.595
where: short stacking energy: -227.778
Base-Backbone interact. energy: -0.920
local terms energy: -252.201437
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -40.948
flat angles C4'-P-C4' energy: -55.057
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -60.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -728.963058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.963058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.963058 (E_RNA)
where:
Base-Base interactions energy: -486.787
where: short stacking energy: -212.930
Base-Backbone interact. energy: 0.321
local terms energy: -242.496485
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -50.379
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -65.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -649.380154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.380154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.380154 (E_RNA)
where:
Base-Base interactions energy: -439.921
where: short stacking energy: -184.060
Base-Backbone interact. energy: -0.678
local terms energy: -208.780630
where:
bonds (distance) C4'-P energy: -43.310
bonds (distance) P-C4' energy: -44.239
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -38.201
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: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -565.634878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.634878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.634878 (E_RNA)
where:
Base-Base interactions energy: -369.732
where: short stacking energy: -172.930
Base-Backbone interact. energy: -0.488
local terms energy: -195.415118
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -48.019
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -265.922927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.922927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.922927 (E_RNA)
where:
Base-Base interactions energy: -111.076
where: short stacking energy: -77.248
Base-Backbone interact. energy: 0.887
local terms energy: -155.733645
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -51.169
flat angles C4'-P-C4' energy: -37.514
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -227.643933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.643933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.643933 (E_RNA)
where:
Base-Base interactions energy: -69.779
where: short stacking energy: -56.475
Base-Backbone interact. energy: -1.987
local terms energy: -155.877682
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -41.654
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -908.130579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.130579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.130579 (E_RNA)
where:
Base-Base interactions energy: -632.302
where: short stacking energy: -272.035
Base-Backbone interact. energy: -0.656
local terms energy: -275.173397
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -73.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -870.802048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.802048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.802048 (E_RNA)
where:
Base-Base interactions energy: -602.262
where: short stacking energy: -249.909
Base-Backbone interact. energy: -1.366
local terms energy: -267.174366
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -62.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -792.853679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.853679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.853679 (E_RNA)
where:
Base-Base interactions energy: -543.357
where: short stacking energy: -246.443
Base-Backbone interact. energy: -1.004
local terms energy: -248.492620
where:
bonds (distance) C4'-P energy: -48.705
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -34.188
tors. eta vs tors. theta energy: -69.551
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: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -770.651340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.651340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.651340 (E_RNA)
where:
Base-Base interactions energy: -529.810
where: short stacking energy: -228.355
Base-Backbone interact. energy: -0.676
local terms energy: -240.164691
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -26.644
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: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -731.764065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.764065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.764065 (E_RNA)
where:
Base-Base interactions energy: -493.371
where: short stacking energy: -212.466
Base-Backbone interact. energy: -1.560
local terms energy: -236.832887
where:
bonds (distance) C4'-P energy: -49.286
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -51.604
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -55.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -701.952682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.952682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.952682 (E_RNA)
where:
Base-Base interactions energy: -471.876
where: short stacking energy: -215.882
Base-Backbone interact. energy: -1.575
local terms energy: -228.501399
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -50.431
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -49.310
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: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -594.973452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.973452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.973452 (E_RNA)
where:
Base-Base interactions energy: -399.690
where: short stacking energy: -170.543
Base-Backbone interact. energy: 2.757
local terms energy: -198.039818
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -554.448555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.448555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.448555 (E_RNA)
where:
Base-Base interactions energy: -367.050
where: short stacking energy: -152.557
Base-Backbone interact. energy: 1.756
local terms energy: -189.154560
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -45.039
flat angles C4'-P-C4' energy: -42.736
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -41.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -252.648592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.648592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.648592 (E_RNA)
where:
Base-Base interactions energy: -95.490
where: short stacking energy: -64.399
Base-Backbone interact. energy: 0.391
local terms energy: -157.549629
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -225.341982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.341982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.341982 (E_RNA)
where:
Base-Base interactions energy: -67.287
where: short stacking energy: -61.630
Base-Backbone interact. energy: 0.490
local terms energy: -158.544297
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -48.998
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -6.257
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: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -895.573352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.573352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.573352 (E_RNA)
where:
Base-Base interactions energy: -615.063
where: short stacking energy: -257.587
Base-Backbone interact. energy: -2.919
local terms energy: -277.591404
where:
bonds (distance) C4'-P energy: -49.128
bonds (distance) P-C4' energy: -59.167
flat angles C4'-P-C4' energy: -58.005
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -73.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -894.645205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.645205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.645205 (E_RNA)
where:
Base-Base interactions energy: -608.209
where: short stacking energy: -248.766
Base-Backbone interact. energy: -0.305
local terms energy: -286.131231
where:
bonds (distance) C4'-P energy: -54.750
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -63.269
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -73.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -794.416330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.416330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.416330 (E_RNA)
where:
Base-Base interactions energy: -542.380
where: short stacking energy: -238.596
Base-Backbone interact. energy: -0.447
local terms energy: -251.589930
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -53.148
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -62.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -774.482511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.482511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.482511 (E_RNA)
where:
Base-Base interactions energy: -531.789
where: short stacking energy: -222.059
Base-Backbone interact. energy: 0.211
local terms energy: -242.905137
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -49.307
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -61.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -745.989490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.989490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.989490 (E_RNA)
where:
Base-Base interactions energy: -497.075
where: short stacking energy: -219.855
Base-Backbone interact. energy: -0.970
local terms energy: -247.944072
where:
bonds (distance) C4'-P energy: -54.275
bonds (distance) P-C4' energy: -46.117
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -692.579545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.579545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.579545 (E_RNA)
where:
Base-Base interactions energy: -443.227
where: short stacking energy: -191.658
Base-Backbone interact. energy: -0.856
local terms energy: -248.496207
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -51.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -612.745357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.745357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.745357 (E_RNA)
where:
Base-Base interactions energy: -400.875
where: short stacking energy: -179.382
Base-Backbone interact. energy: -0.508
local terms energy: -211.362290
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -39.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -565.266686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.266686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.266686 (E_RNA)
where:
Base-Base interactions energy: -360.488
where: short stacking energy: -161.047
Base-Backbone interact. energy: 0.804
local terms energy: -205.583009
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -49.678
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -34.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -260.807798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.807798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.807798 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -104.078
Base-Backbone interact. energy: 0.778
local terms energy: -145.119776
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -36.322
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -226.658998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.658998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.658998 (E_RNA)
where:
Base-Base interactions energy: -95.225
where: short stacking energy: -74.843
Base-Backbone interact. energy: -0.538
local terms energy: -130.896128
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -32.985
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: 7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -909.929076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.929076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.929076 (E_RNA)
where:
Base-Base interactions energy: -629.884
where: short stacking energy: -286.811
Base-Backbone interact. energy: -0.519
local terms energy: -279.526823
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -77.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -896.639079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.639079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.639079 (E_RNA)
where:
Base-Base interactions energy: -613.940
where: short stacking energy: -281.274
Base-Backbone interact. energy: 1.719
local terms energy: -284.419023
where:
bonds (distance) C4'-P energy: -56.499
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -60.624
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -74.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -795.792646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.792646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.792646 (E_RNA)
where:
Base-Base interactions energy: -553.963
where: short stacking energy: -225.421
Base-Backbone interact. energy: -0.670
local terms energy: -241.159689
where:
bonds (distance) C4'-P energy: -42.661
bonds (distance) P-C4' energy: -51.478
flat angles C4'-P-C4' energy: -58.558
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: -56.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -757.025114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.025114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.025114 (E_RNA)
where:
Base-Base interactions energy: -504.720
where: short stacking energy: -230.685
Base-Backbone interact. energy: -0.984
local terms energy: -251.321063
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -56.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -747.464768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.464768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.464768 (E_RNA)
where:
Base-Base interactions energy: -510.958
where: short stacking energy: -228.037
Base-Backbone interact. energy: 1.619
local terms energy: -238.125749
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -55.740
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: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -721.313557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.313557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.313557 (E_RNA)
where:
Base-Base interactions energy: -488.794
where: short stacking energy: -221.808
Base-Backbone interact. energy: -0.788
local terms energy: -231.731557
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -54.850
flat angles P-C4'-P energy: -29.170
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: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -610.667961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.667961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.667961 (E_RNA)
where:
Base-Base interactions energy: -396.068
where: short stacking energy: -169.110
Base-Backbone interact. energy: -0.324
local terms energy: -214.275932
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -48.018
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -50.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -590.395469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.395469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.395469 (E_RNA)
where:
Base-Base interactions energy: -387.274
where: short stacking energy: -176.965
Base-Backbone interact. energy: 0.192
local terms energy: -203.313223
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -32.463
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: 103
Temperature: 1.300000
Total energy: -246.392651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.392651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392651 (E_RNA)
where:
Base-Base interactions energy: -98.547
where: short stacking energy: -88.392
Base-Backbone interact. energy: 1.657
local terms energy: -149.503372
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -43.238
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -7.512
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: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -221.161879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.161879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.161879 (E_RNA)
where:
Base-Base interactions energy: -69.975
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.420
local terms energy: -150.766989
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -45.724
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: 6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -904.894401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.894401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.894401 (E_RNA)
where:
Base-Base interactions energy: -620.029
where: short stacking energy: -267.738
Base-Backbone interact. energy: -1.048
local terms energy: -283.817750
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -76.149
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: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -884.262179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.262179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.262179 (E_RNA)
where:
Base-Base interactions energy: -606.527
where: short stacking energy: -243.081
Base-Backbone interact. energy: 0.032
local terms energy: -277.767228
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -52.301
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: -68.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -797.168643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.168643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.168643 (E_RNA)
where:
Base-Base interactions energy: -549.218
where: short stacking energy: -244.840
Base-Backbone interact. energy: -1.404
local terms energy: -246.547200
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -58.409
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: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -773.493459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.493459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.493459 (E_RNA)
where:
Base-Base interactions energy: -531.637
where: short stacking energy: -227.743
Base-Backbone interact. energy: 0.178
local terms energy: -242.034714
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -64.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -741.275691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.275691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.275691 (E_RNA)
where:
Base-Base interactions energy: -503.926
where: short stacking energy: -214.040
Base-Backbone interact. energy: -0.996
local terms energy: -236.353654
where:
bonds (distance) C4'-P energy: -48.250
bonds (distance) P-C4' energy: -49.490
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -51.384
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: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -694.846706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.846706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.846706 (E_RNA)
where:
Base-Base interactions energy: -453.499
where: short stacking energy: -203.524
Base-Backbone interact. energy: -1.422
local terms energy: -239.925645
where:
bonds (distance) C4'-P energy: -46.297
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -54.140
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: 104
Temperature: 1.200000
Total energy: -558.120447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.120447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.120447 (E_RNA)
where:
Base-Base interactions energy: -351.569
where: short stacking energy: -153.835
Base-Backbone interact. energy: -0.948
local terms energy: -205.603269
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -42.656
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -38.776
tors. eta vs tors. theta energy: -36.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -560.764374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.764374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.764374 (E_RNA)
where:
Base-Base interactions energy: -360.786
where: short stacking energy: -157.331
Base-Backbone interact. energy: -2.011
local terms energy: -197.967100
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -35.685
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: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -238.799836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.799836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.799836 (E_RNA)
where:
Base-Base interactions energy: -84.709
where: short stacking energy: -67.139
Base-Backbone interact. energy: 3.993
local terms energy: -158.084139
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -43.946
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -255.396502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.396502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.396502 (E_RNA)
where:
Base-Base interactions energy: -124.881
where: short stacking energy: -81.586
Base-Backbone interact. energy: -0.541
local terms energy: -129.974265
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -917.407134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.407134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.407134 (E_RNA)
where:
Base-Base interactions energy: -629.985
where: short stacking energy: -277.222
Base-Backbone interact. energy: -0.873
local terms energy: -286.548809
where:
bonds (distance) C4'-P energy: -59.747
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -76.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -894.729538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.729538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.729538 (E_RNA)
where:
Base-Base interactions energy: -625.577
where: short stacking energy: -257.827
Base-Backbone interact. energy: -2.079
local terms energy: -267.073580
where:
bonds (distance) C4'-P energy: -61.017
bonds (distance) P-C4' energy: -49.894
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: -65.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -815.458597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.458597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.458597 (E_RNA)
where:
Base-Base interactions energy: -554.902
where: short stacking energy: -243.384
Base-Backbone interact. energy: 0.373
local terms energy: -260.929666
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -48.281
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -33.293
tors. eta vs tors. theta energy: -64.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -767.326358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.326358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.326358 (E_RNA)
where:
Base-Base interactions energy: -521.548
where: short stacking energy: -231.736
Base-Backbone interact. energy: -1.873
local terms energy: -243.905447
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -55.332
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -57.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -750.144260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.144260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.144260 (E_RNA)
where:
Base-Base interactions energy: -507.818
where: short stacking energy: -231.701
Base-Backbone interact. energy: 0.356
local terms energy: -242.682495
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -62.140
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: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -707.857074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.857074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.857074 (E_RNA)
where:
Base-Base interactions energy: -471.964
where: short stacking energy: -212.777
Base-Backbone interact. energy: -1.462
local terms energy: -234.430978
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -54.488
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -46.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -575.819839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.819839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.819839 (E_RNA)
where:
Base-Base interactions energy: -368.305
where: short stacking energy: -165.464
Base-Backbone interact. energy: -0.077
local terms energy: -207.437021
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -50.395
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -32.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -573.969167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.969167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.969167 (E_RNA)
where:
Base-Base interactions energy: -385.827
where: short stacking energy: -172.651
Base-Backbone interact. energy: -0.364
local terms energy: -187.778118
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -41.679
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -38.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -238.705103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.705103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.705103 (E_RNA)
where:
Base-Base interactions energy: -102.203
where: short stacking energy: -76.242
Base-Backbone interact. energy: -2.236
local terms energy: -134.266459
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -42.290
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: 4.921
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: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -264.151856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.151856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.151856 (E_RNA)
where:
Base-Base interactions energy: -108.753
where: short stacking energy: -72.002
Base-Backbone interact. energy: -0.550
local terms energy: -154.849085
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -902.491880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.491880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.491880 (E_RNA)
where:
Base-Base interactions energy: -636.416
where: short stacking energy: -260.518
Base-Backbone interact. energy: -0.940
local terms energy: -265.135038
where:
bonds (distance) C4'-P energy: -48.748
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -63.789
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -68.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -883.014165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.014165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.014165 (E_RNA)
where:
Base-Base interactions energy: -614.078
where: short stacking energy: -238.413
Base-Backbone interact. energy: -1.271
local terms energy: -267.665716
where:
bonds (distance) C4'-P energy: -50.188
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -32.436
tors. eta vs tors. theta energy: -68.029
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: 106
Temperature: 1.000000
Total energy: -808.302937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.302937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.302937 (E_RNA)
where:
Base-Base interactions energy: -566.758
where: short stacking energy: -250.444
Base-Backbone interact. energy: 0.215
local terms energy: -241.759249
where:
bonds (distance) C4'-P energy: -53.912
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -53.174
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -63.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -746.425096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.425096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.425096 (E_RNA)
where:
Base-Base interactions energy: -500.316
where: short stacking energy: -231.695
Base-Backbone interact. energy: -0.275
local terms energy: -245.833349
where:
bonds (distance) C4'-P energy: -42.852
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -64.038
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: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -764.197860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.197860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.197860 (E_RNA)
where:
Base-Base interactions energy: -529.467
where: short stacking energy: -238.057
Base-Backbone interact. energy: -0.866
local terms energy: -233.865507
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -44.588
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: -71.849
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: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -709.127920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.127920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.127920 (E_RNA)
where:
Base-Base interactions energy: -478.688
where: short stacking energy: -214.318
Base-Backbone interact. energy: -1.338
local terms energy: -229.102069
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -46.084
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -57.030
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: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -602.735129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.735129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.735129 (E_RNA)
where:
Base-Base interactions energy: -379.067
where: short stacking energy: -166.756
Base-Backbone interact. energy: 0.812
local terms energy: -224.479931
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -39.689
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: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -559.262688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.262688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.262688 (E_RNA)
where:
Base-Base interactions energy: -345.009
where: short stacking energy: -163.772
Base-Backbone interact. energy: -0.538
local terms energy: -213.715473
where:
bonds (distance) C4'-P energy: -46.379
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -38.055
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: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -252.552936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.552936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.552936 (E_RNA)
where:
Base-Base interactions energy: -98.774
where: short stacking energy: -77.042
Base-Backbone interact. energy: -0.171
local terms energy: -153.607457
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -42.886
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -3.172
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: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -239.913564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913564 (E_RNA)
where:
Base-Base interactions energy: -93.255
where: short stacking energy: -81.075
Base-Backbone interact. energy: -0.145
local terms energy: -146.513620
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -5.204
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: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -920.343124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.343124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.343124 (E_RNA)
where:
Base-Base interactions energy: -635.898
where: short stacking energy: -264.378
Base-Backbone interact. energy: -2.701
local terms energy: -281.743812
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -881.857732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.857732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.857732 (E_RNA)
where:
Base-Base interactions energy: -601.481
where: short stacking energy: -251.933
Base-Backbone interact. energy: -0.837
local terms energy: -279.539171
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -33.421
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: 107
Temperature: 1.000000
Total energy: -803.895896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.895896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.895896 (E_RNA)
where:
Base-Base interactions energy: -542.485
where: short stacking energy: -242.393
Base-Backbone interact. energy: 0.777
local terms energy: -262.187889
where:
bonds (distance) C4'-P energy: -52.011
bonds (distance) P-C4' energy: -50.318
flat angles C4'-P-C4' energy: -59.549
flat angles P-C4'-P energy: -37.232
tors. eta vs tors. theta energy: -63.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -790.798173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.798173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.798173 (E_RNA)
where:
Base-Base interactions energy: -533.918
where: short stacking energy: -242.463
Base-Backbone interact. energy: 0.453
local terms energy: -257.333574
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -48.337
flat angles C4'-P-C4' energy: -62.697
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -64.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -738.262785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.262785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.262785 (E_RNA)
where:
Base-Base interactions energy: -494.110
where: short stacking energy: -208.702
Base-Backbone interact. energy: -0.812
local terms energy: -243.341480
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -46.176
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -57.341
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: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -669.820403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.820403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.820403 (E_RNA)
where:
Base-Base interactions energy: -453.911
where: short stacking energy: -193.845
Base-Backbone interact. energy: 0.513
local terms energy: -216.421973
where:
bonds (distance) C4'-P energy: -47.496
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -43.326
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: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -526.719421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.719421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.719421 (E_RNA)
where:
Base-Base interactions energy: -335.529
where: short stacking energy: -151.630
Base-Backbone interact. energy: 1.006
local terms energy: -192.196424
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -32.043
tors. eta vs tors. theta energy: -33.474
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -580.796529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.796529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.796529 (E_RNA)
where:
Base-Base interactions energy: -390.835
where: short stacking energy: -167.746
Base-Backbone interact. energy: -1.874
local terms energy: -188.087708
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -43.986
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -40.649
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: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -255.463893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.463893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.463893 (E_RNA)
where:
Base-Base interactions energy: -98.575
where: short stacking energy: -77.151
Base-Backbone interact. energy: 4.089
local terms energy: -160.978114
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -49.784
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -250.645114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.645114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.645114 (E_RNA)
where:
Base-Base interactions energy: -96.312
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.037
local terms energy: -154.296051
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -44.834
flat angles P-C4'-P energy: -21.460
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -917.760131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.760131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.760131 (E_RNA)
where:
Base-Base interactions energy: -635.617
where: short stacking energy: -272.111
Base-Backbone interact. energy: -1.645
local terms energy: -280.497714
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -57.723
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -73.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -871.828581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.828581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.828581 (E_RNA)
where:
Base-Base interactions energy: -605.276
where: short stacking energy: -240.836
Base-Backbone interact. energy: -0.682
local terms energy: -265.870491
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -59.437
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: -64.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -815.714906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.714906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.714906 (E_RNA)
where:
Base-Base interactions energy: -553.115
where: short stacking energy: -259.556
Base-Backbone interact. energy: -1.307
local terms energy: -261.293099
where:
bonds (distance) C4'-P energy: -52.724
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -56.434
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -70.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -782.401247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.401247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.401247 (E_RNA)
where:
Base-Base interactions energy: -527.676
where: short stacking energy: -245.695
Base-Backbone interact. energy: -0.515
local terms energy: -254.210131
where:
bonds (distance) C4'-P energy: -49.853
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -65.629
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: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -735.307358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.307358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.307358 (E_RNA)
where:
Base-Base interactions energy: -487.330
where: short stacking energy: -200.062
Base-Backbone interact. energy: -0.544
local terms energy: -247.433512
where:
bonds (distance) C4'-P energy: -48.841
bonds (distance) P-C4' energy: -45.845
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -736.113568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.113568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.113568 (E_RNA)
where:
Base-Base interactions energy: -508.556
where: short stacking energy: -223.597
Base-Backbone interact. energy: 0.033
local terms energy: -227.590954
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -48.652
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -616.681967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.681967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.681967 (E_RNA)
where:
Base-Base interactions energy: -419.157
where: short stacking energy: -186.445
Base-Backbone interact. energy: -0.848
local terms energy: -196.677661
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -50.345
flat angles C4'-P-C4' energy: -33.104
flat angles P-C4'-P energy: -31.947
tors. eta vs tors. theta energy: -31.298
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: 108
Temperature: 1.250000
Total energy: -494.558364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.558364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.558364 (E_RNA)
where:
Base-Base interactions energy: -312.321
where: short stacking energy: -168.365
Base-Backbone interact. energy: 0.227
local terms energy: -182.465194
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -46.378
flat angles C4'-P-C4' energy: -37.593
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -243.793659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.793659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.793659 (E_RNA)
where:
Base-Base interactions energy: -85.759
where: short stacking energy: -74.362
Base-Backbone interact. energy: -0.687
local terms energy: -157.347083
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -44.139
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -228.655509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.655509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.655509 (E_RNA)
where:
Base-Base interactions energy: -90.345
where: short stacking energy: -58.579
Base-Backbone interact. energy: -1.646
local terms energy: -136.664166
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: 14.275
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -905.841891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.841891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.841891 (E_RNA)
where:
Base-Base interactions energy: -625.532
where: short stacking energy: -271.879
Base-Backbone interact. energy: -1.042
local terms energy: -279.268836
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -49.461
flat angles C4'-P-C4' energy: -65.352
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -74.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -889.689167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.689167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.689167 (E_RNA)
where:
Base-Base interactions energy: -611.615
where: short stacking energy: -250.665
Base-Backbone interact. energy: -1.192
local terms energy: -276.882360
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -65.703
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -67.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -810.749229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.749229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.749229 (E_RNA)
where:
Base-Base interactions energy: -549.615
where: short stacking energy: -258.423
Base-Backbone interact. energy: -0.311
local terms energy: -260.822945
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -41.093
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -793.088024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.088024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.088024 (E_RNA)
where:
Base-Base interactions energy: -534.424
where: short stacking energy: -243.820
Base-Backbone interact. energy: -0.271
local terms energy: -258.392711
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -51.419
flat angles C4'-P-C4' energy: -55.131
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -67.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -744.285235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.285235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.285235 (E_RNA)
where:
Base-Base interactions energy: -489.941
where: short stacking energy: -208.470
Base-Backbone interact. energy: -1.115
local terms energy: -253.228642
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -52.441
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -54.302
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -688.216353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.216353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.216353 (E_RNA)
where:
Base-Base interactions energy: -479.038
where: short stacking energy: -205.776
Base-Backbone interact. energy: -0.436
local terms energy: -208.742082
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -42.065
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -576.809569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.809569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.809569 (E_RNA)
where:
Base-Base interactions energy: -359.588
where: short stacking energy: -168.318
Base-Backbone interact. energy: -1.023
local terms energy: -216.198296
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -46.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -498.548104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.548104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.548104 (E_RNA)
where:
Base-Base interactions energy: -290.296
where: short stacking energy: -147.156
Base-Backbone interact. energy: -0.136
local terms energy: -208.116281
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -53.552
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -258.109480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.109480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.109480 (E_RNA)
where:
Base-Base interactions energy: -90.508
where: short stacking energy: -79.827
Base-Backbone interact. energy: 0.137
local terms energy: -167.738382
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -4.997
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: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -215.826333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.826333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.826333 (E_RNA)
where:
Base-Base interactions energy: -84.018
where: short stacking energy: -54.049
Base-Backbone interact. energy: 1.269
local terms energy: -133.076867
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -47.486
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: 12.416
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -926.934285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.934285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.934285 (E_RNA)
where:
Base-Base interactions energy: -644.247
where: short stacking energy: -282.684
Base-Backbone interact. energy: -0.472
local terms energy: -282.215518
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -48.538
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -49.543
tors. eta vs tors. theta energy: -71.239
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: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -901.974514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.974514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.974514 (E_RNA)
where:
Base-Base interactions energy: -626.589
where: short stacking energy: -269.826
Base-Backbone interact. energy: 0.040
local terms energy: -275.425116
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -59.870
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: -70.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -801.023882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.023882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.023882 (E_RNA)
where:
Base-Base interactions energy: -541.859
where: short stacking energy: -243.299
Base-Backbone interact. energy: -0.493
local terms energy: -258.672049
where:
bonds (distance) C4'-P energy: -47.458
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -64.800
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: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -778.847109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.847109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.847109 (E_RNA)
where:
Base-Base interactions energy: -521.619
where: short stacking energy: -229.512
Base-Backbone interact. energy: -2.399
local terms energy: -254.829420
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -54.977
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -65.288
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: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -736.965214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.965214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.965214 (E_RNA)
where:
Base-Base interactions energy: -510.720
where: short stacking energy: -215.089
Base-Backbone interact. energy: -1.239
local terms energy: -225.006673
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -52.873
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: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -680.745349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.745349 (E_RNA)
where:
Base-Base interactions energy: -452.592
where: short stacking energy: -198.362
Base-Backbone interact. energy: -0.275
local terms energy: -227.877929
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -47.935
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -52.271
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: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -606.889379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.889379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.889379 (E_RNA)
where:
Base-Base interactions energy: -401.325
where: short stacking energy: -185.028
Base-Backbone interact. energy: 0.220
local terms energy: -205.784493
where:
bonds (distance) C4'-P energy: -45.991
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -40.123
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -48.828
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: 110
Temperature: 1.250000
Total energy: -471.754171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.754171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.754171 (E_RNA)
where:
Base-Base interactions energy: -280.028
where: short stacking energy: -146.185
Base-Backbone interact. energy: -0.975
local terms energy: -190.750670
where:
bonds (distance) C4'-P energy: -42.715
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -37.641
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: -29.649
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: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -241.937173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.937173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.937173 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -83.040
Base-Backbone interact. energy: 0.394
local terms energy: -150.268557
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -48.626
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -224.015040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.015040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.015040 (E_RNA)
where:
Base-Base interactions energy: -86.616
where: short stacking energy: -55.253
Base-Backbone interact. energy: 4.219
local terms energy: -141.617842
where:
bonds (distance) C4'-P energy: -45.597
bonds (distance) P-C4' energy: -53.283
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: 12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -914.068104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.068104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.068104 (E_RNA)
where:
Base-Base interactions energy: -625.786
where: short stacking energy: -258.437
Base-Backbone interact. energy: -0.482
local terms energy: -287.799682
where:
bonds (distance) C4'-P energy: -50.724
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -58.377
flat angles P-C4'-P energy: -45.797
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -896.168612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.168612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.168612 (E_RNA)
where:
Base-Base interactions energy: -616.441
where: short stacking energy: -260.514
Base-Backbone interact. energy: -0.209
local terms energy: -279.519476
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -60.955
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -35.741
tors. eta vs tors. theta energy: -70.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -824.172187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.172187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.172187 (E_RNA)
where:
Base-Base interactions energy: -571.421
where: short stacking energy: -260.957
Base-Backbone interact. energy: -0.604
local terms energy: -252.147751
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -36.572
tors. eta vs tors. theta energy: -66.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -794.619975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.619975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.619975 (E_RNA)
where:
Base-Base interactions energy: -541.629
where: short stacking energy: -227.363
Base-Backbone interact. energy: 0.584
local terms energy: -253.575362
where:
bonds (distance) C4'-P energy: -50.232
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -53.910
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -62.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -756.100473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.100473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.100473 (E_RNA)
where:
Base-Base interactions energy: -499.773
where: short stacking energy: -204.388
Base-Backbone interact. energy: -2.062
local terms energy: -254.266194
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -62.249
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: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -676.091994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.091994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.091994 (E_RNA)
where:
Base-Base interactions energy: -464.121
where: short stacking energy: -206.854
Base-Backbone interact. energy: 2.168
local terms energy: -214.139449
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -29.155
tors. eta vs tors. theta energy: -48.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -611.268442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.268442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.268442 (E_RNA)
where:
Base-Base interactions energy: -407.752
where: short stacking energy: -167.664
Base-Backbone interact. energy: 0.531
local terms energy: -204.047309
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -51.126
flat angles C4'-P-C4' energy: -51.581
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -31.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -461.710742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.710742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.710742 (E_RNA)
where:
Base-Base interactions energy: -281.121
where: short stacking energy: -129.315
Base-Backbone interact. energy: -1.436
local terms energy: -179.153434
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -261.063742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.063742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.063742 (E_RNA)
where:
Base-Base interactions energy: -110.160
where: short stacking energy: -92.211
Base-Backbone interact. energy: 0.209
local terms energy: -151.113014
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -5.355
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: 111
Temperature: 1.350000
Total energy: -228.985125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.985125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.985125 (E_RNA)
where:
Base-Base interactions energy: -108.608
where: short stacking energy: -72.723
Base-Backbone interact. energy: 1.024
local terms energy: -121.400323
where:
bonds (distance) C4'-P energy: -44.183
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: 5.221
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -908.238754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.238754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.238754 (E_RNA)
where:
Base-Base interactions energy: -628.736
where: short stacking energy: -262.923
Base-Backbone interact. energy: -1.050
local terms energy: -278.452226
where:
bonds (distance) C4'-P energy: -47.427
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -61.751
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -71.801
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -894.489357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.489357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.489357 (E_RNA)
where:
Base-Base interactions energy: -617.022
where: short stacking energy: -240.745
Base-Backbone interact. energy: -1.750
local terms energy: -275.717156
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -54.595
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -793.135010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.135010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.135010 (E_RNA)
where:
Base-Base interactions energy: -542.824
where: short stacking energy: -242.798
Base-Backbone interact. energy: -0.502
local terms energy: -249.808544
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -66.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -782.511025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.511025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.511025 (E_RNA)
where:
Base-Base interactions energy: -526.731
where: short stacking energy: -236.369
Base-Backbone interact. energy: -1.346
local terms energy: -254.433913
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -54.378
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -58.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -782.224301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.224301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.224301 (E_RNA)
where:
Base-Base interactions energy: -536.864
where: short stacking energy: -223.613
Base-Backbone interact. energy: -0.571
local terms energy: -244.789875
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -50.419
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -62.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -670.607561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.607561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.607561 (E_RNA)
where:
Base-Base interactions energy: -452.408
where: short stacking energy: -205.637
Base-Backbone interact. energy: 3.945
local terms energy: -222.144660
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -46.078
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -620.476553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.476553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.476553 (E_RNA)
where:
Base-Base interactions energy: -397.942
where: short stacking energy: -172.503
Base-Backbone interact. energy: -0.597
local terms energy: -221.937323
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -53.873
flat angles C4'-P-C4' energy: -49.517
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -46.348
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: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -453.636641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.636641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.636641 (E_RNA)
where:
Base-Base interactions energy: -273.288
where: short stacking energy: -144.036
Base-Backbone interact. energy: -1.573
local terms energy: -178.775544
where:
bonds (distance) C4'-P energy: -49.531
bonds (distance) P-C4' energy: -52.988
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -24.605
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: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -234.766681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.766681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766681 (E_RNA)
where:
Base-Base interactions energy: -92.736
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.344
local terms energy: -141.686407
where:
bonds (distance) C4'-P energy: -52.305
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: 8.180
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: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -215.644867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644867 (E_RNA)
where:
Base-Base interactions energy: -82.023
where: short stacking energy: -74.844
Base-Backbone interact. energy: 1.202
local terms energy: -134.824167
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: 8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -915.444112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.444112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.444112 (E_RNA)
where:
Base-Base interactions energy: -630.854
where: short stacking energy: -277.716
Base-Backbone interact. energy: -0.313
local terms energy: -284.277449
where:
bonds (distance) C4'-P energy: -48.757
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -74.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -890.985233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.985233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.985233 (E_RNA)
where:
Base-Base interactions energy: -617.345
where: short stacking energy: -239.266
Base-Backbone interact. energy: -0.588
local terms energy: -273.051888
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -56.979
flat angles C4'-P-C4' energy: -55.199
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -67.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -801.456855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.456855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.456855 (E_RNA)
where:
Base-Base interactions energy: -559.904
where: short stacking energy: -249.521
Base-Backbone interact. energy: -0.588
local terms energy: -240.965290
where:
bonds (distance) C4'-P energy: -53.070
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -58.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -809.910647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.910647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.910647 (E_RNA)
where:
Base-Base interactions energy: -543.684
where: short stacking energy: -241.542
Base-Backbone interact. energy: -2.064
local terms energy: -264.163022
where:
bonds (distance) C4'-P energy: -49.607
bonds (distance) P-C4' energy: -50.741
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -67.466
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: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -735.200812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.200812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.200812 (E_RNA)
where:
Base-Base interactions energy: -506.768
where: short stacking energy: -211.057
Base-Backbone interact. energy: -0.018
local terms energy: -228.415650
where:
bonds (distance) C4'-P energy: -49.233
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -54.196
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -45.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -685.117245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.117245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.117245 (E_RNA)
where:
Base-Base interactions energy: -442.191
where: short stacking energy: -204.034
Base-Backbone interact. energy: 1.387
local terms energy: -244.312347
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -58.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -591.486735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.486735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.486735 (E_RNA)
where:
Base-Base interactions energy: -391.899
where: short stacking energy: -182.189
Base-Backbone interact. energy: -0.880
local terms energy: -198.707850
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -40.173
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: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -443.729645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.729645 (E_RNA)
where:
Base-Base interactions energy: -270.035
where: short stacking energy: -126.016
Base-Backbone interact. energy: -2.490
local terms energy: -171.204574
where:
bonds (distance) C4'-P energy: -40.510
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -41.507
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -236.932254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.932254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.932254 (E_RNA)
where:
Base-Base interactions energy: -94.409
where: short stacking energy: -79.100
Base-Backbone interact. energy: 0.102
local terms energy: -142.625742
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: 0.697
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: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -242.083689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.083689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.083689 (E_RNA)
where:
Base-Base interactions energy: -91.200
where: short stacking energy: -68.151
Base-Backbone interact. energy: -1.043
local terms energy: -149.840574
where:
bonds (distance) C4'-P energy: -46.759
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -45.774
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: 6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -917.505766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.505766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.505766 (E_RNA)
where:
Base-Base interactions energy: -637.681
where: short stacking energy: -278.483
Base-Backbone interact. energy: -1.650
local terms energy: -278.174408
where:
bonds (distance) C4'-P energy: -50.678
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -71.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -882.656260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.656260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.656260 (E_RNA)
where:
Base-Base interactions energy: -607.178
where: short stacking energy: -238.450
Base-Backbone interact. energy: -1.843
local terms energy: -273.634474
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -55.827
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -69.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -802.547602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.547602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.547602 (E_RNA)
where:
Base-Base interactions energy: -548.969
where: short stacking energy: -244.503
Base-Backbone interact. energy: -1.060
local terms energy: -252.518843
where:
bonds (distance) C4'-P energy: -43.847
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -69.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -789.020743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.020743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.020743 (E_RNA)
where:
Base-Base interactions energy: -546.562
where: short stacking energy: -231.550
Base-Backbone interact. energy: -1.645
local terms energy: -240.814401
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -38.591
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -63.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -709.917823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.917823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.917823 (E_RNA)
where:
Base-Base interactions energy: -491.069
where: short stacking energy: -201.903
Base-Backbone interact. energy: 0.132
local terms energy: -218.981112
where:
bonds (distance) C4'-P energy: -37.791
bonds (distance) P-C4' energy: -48.302
flat angles C4'-P-C4' energy: -49.309
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -673.848040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.848040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.848040 (E_RNA)
where:
Base-Base interactions energy: -455.286
where: short stacking energy: -193.189
Base-Backbone interact. energy: -0.853
local terms energy: -217.708867
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -45.252
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: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -627.691072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.691072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.691072 (E_RNA)
where:
Base-Base interactions energy: -406.120
where: short stacking energy: -189.479
Base-Backbone interact. energy: 1.477
local terms energy: -223.047580
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -49.437
flat angles C4'-P-C4' energy: -48.876
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -41.938
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: 114
Temperature: 1.250000
Total energy: -478.958646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.958646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.958646 (E_RNA)
where:
Base-Base interactions energy: -298.760
where: short stacking energy: -140.518
Base-Backbone interact. energy: 1.243
local terms energy: -181.441194
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -46.950
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -288.325239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.325239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.325239 (E_RNA)
where:
Base-Base interactions energy: -127.894
where: short stacking energy: -83.420
Base-Backbone interact. energy: -1.882
local terms energy: -158.548751
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -44.238
flat angles C4'-P-C4' energy: -55.661
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -240.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.598123 (E_RNA)
where:
Base-Base interactions energy: -76.257
where: short stacking energy: -65.278
Base-Backbone interact. energy: -1.396
local terms energy: -162.945151
where:
bonds (distance) C4'-P energy: -51.781
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: 6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -907.159716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.159716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.159716 (E_RNA)
where:
Base-Base interactions energy: -625.071
where: short stacking energy: -272.339
Base-Backbone interact. energy: -2.066
local terms energy: -280.022182
where:
bonds (distance) C4'-P energy: -59.315
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -63.031
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -75.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -894.359433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.359433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.359433 (E_RNA)
where:
Base-Base interactions energy: -614.396
where: short stacking energy: -246.522
Base-Backbone interact. energy: -2.052
local terms energy: -277.911125
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -45.860
flat angles C4'-P-C4' energy: -59.632
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -65.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -827.378829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.378829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.378829 (E_RNA)
where:
Base-Base interactions energy: -552.433
where: short stacking energy: -256.834
Base-Backbone interact. energy: -0.760
local terms energy: -274.185629
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -57.657
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -73.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -789.937278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.937278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.937278 (E_RNA)
where:
Base-Base interactions energy: -536.501
where: short stacking energy: -217.907
Base-Backbone interact. energy: 0.072
local terms energy: -253.508664
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -58.014
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: -59.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -671.447507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.447507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.447507 (E_RNA)
where:
Base-Base interactions energy: -454.457
where: short stacking energy: -196.937
Base-Backbone interact. energy: -1.526
local terms energy: -215.464362
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -48.565
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -39.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -672.815986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.815986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.815986 (E_RNA)
where:
Base-Base interactions energy: -452.266
where: short stacking energy: -207.912
Base-Backbone interact. energy: -1.294
local terms energy: -219.256370
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -48.394
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -647.102517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.102517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.102517 (E_RNA)
where:
Base-Base interactions energy: -438.900
where: short stacking energy: -188.433
Base-Backbone interact. energy: -1.253
local terms energy: -206.949804
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -44.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -468.155120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.155120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.155120 (E_RNA)
where:
Base-Base interactions energy: -306.179
where: short stacking energy: -137.878
Base-Backbone interact. energy: 1.796
local terms energy: -163.772350
where:
bonds (distance) C4'-P energy: -44.213
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -336.935033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.935033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.935033 (E_RNA)
where:
Base-Base interactions energy: -162.760
where: short stacking energy: -98.822
Base-Backbone interact. energy: -0.848
local terms energy: -173.327442
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -42.581
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -9.002
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: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -225.244627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244627 (E_RNA)
where:
Base-Base interactions energy: -73.972
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.906
local terms energy: -150.366919
where:
bonds (distance) C4'-P energy: -48.375
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: 21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -903.871103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.871103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.871103 (E_RNA)
where:
Base-Base interactions energy: -620.340
where: short stacking energy: -264.731
Base-Backbone interact. energy: -0.764
local terms energy: -282.766633
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -58.383
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -70.851
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: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -894.159251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.159251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.159251 (E_RNA)
where:
Base-Base interactions energy: -615.099
where: short stacking energy: -254.273
Base-Backbone interact. energy: -1.679
local terms energy: -277.381278
where:
bonds (distance) C4'-P energy: -50.696
bonds (distance) P-C4' energy: -56.488
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -66.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -807.514548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.514548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.514548 (E_RNA)
where:
Base-Base interactions energy: -553.574
where: short stacking energy: -251.823
Base-Backbone interact. energy: -1.190
local terms energy: -252.751113
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -55.052
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -65.350
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: 116
Temperature: 1.050000
Total energy: -785.794596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.794596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.794596 (E_RNA)
where:
Base-Base interactions energy: -546.691
where: short stacking energy: -230.960
Base-Backbone interact. energy: -0.703
local terms energy: -238.399992
where:
bonds (distance) C4'-P energy: -42.835
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -60.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -677.291530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.291530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.291530 (E_RNA)
where:
Base-Base interactions energy: -445.147
where: short stacking energy: -202.884
Base-Backbone interact. energy: 1.028
local terms energy: -233.173264
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -57.568
flat angles C4'-P-C4' energy: -50.752
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -656.526481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.526481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.526481 (E_RNA)
where:
Base-Base interactions energy: -436.248
where: short stacking energy: -189.156
Base-Backbone interact. energy: -0.658
local terms energy: -219.619859
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -640.416737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.416737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.416737 (E_RNA)
where:
Base-Base interactions energy: -428.501
where: short stacking energy: -184.768
Base-Backbone interact. energy: -1.580
local terms energy: -210.335186
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -43.933
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -42.092
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: 116
Temperature: 1.250000
Total energy: -458.970172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.970172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.970172 (E_RNA)
where:
Base-Base interactions energy: -262.422
where: short stacking energy: -140.433
Base-Backbone interact. energy: -1.174
local terms energy: -195.374083
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -41.448
flat angles C4'-P-C4' energy: -55.182
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -239.963149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.963149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.963149 (E_RNA)
where:
Base-Base interactions energy: -77.137
where: short stacking energy: -64.721
Base-Backbone interact. energy: 1.799
local terms energy: -164.625105
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -44.128
flat angles C4'-P-C4' energy: -40.690
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -324.133542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.133542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.133542 (E_RNA)
where:
Base-Base interactions energy: -152.501
where: short stacking energy: -90.526
Base-Backbone interact. energy: 3.839
local terms energy: -175.471608
where:
bonds (distance) C4'-P energy: -44.522
bonds (distance) P-C4' energy: -50.175
flat angles C4'-P-C4' energy: -47.147
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: 0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -917.773277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.773277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.773277 (E_RNA)
where:
Base-Base interactions energy: -629.100
where: short stacking energy: -289.410
Base-Backbone interact. energy: -1.762
local terms energy: -286.910614
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -78.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -884.743227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.743227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.743227 (E_RNA)
where:
Base-Base interactions energy: -612.961
where: short stacking energy: -237.563
Base-Backbone interact. energy: -2.345
local terms energy: -269.437222
where:
bonds (distance) C4'-P energy: -52.258
bonds (distance) P-C4' energy: -49.266
flat angles C4'-P-C4' energy: -62.096
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -68.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -825.244852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.244852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.244852 (E_RNA)
where:
Base-Base interactions energy: -577.457
where: short stacking energy: -241.284
Base-Backbone interact. energy: -0.565
local terms energy: -247.222342
where:
bonds (distance) C4'-P energy: -40.171
bonds (distance) P-C4' energy: -53.502
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -30.867
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: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -787.183847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.183847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.183847 (E_RNA)
where:
Base-Base interactions energy: -535.326
where: short stacking energy: -234.651
Base-Backbone interact. energy: -0.457
local terms energy: -251.400734
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -59.399
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -59.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -676.279160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.279160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.279160 (E_RNA)
where:
Base-Base interactions energy: -447.430
where: short stacking energy: -179.261
Base-Backbone interact. energy: -0.908
local terms energy: -227.941646
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: -48.421
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: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -697.409255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.409255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.409255 (E_RNA)
where:
Base-Base interactions energy: -460.547
where: short stacking energy: -203.333
Base-Backbone interact. energy: 0.217
local terms energy: -237.078532
where:
bonds (distance) C4'-P energy: -43.310
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -51.495
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -46.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -618.134916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.134916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.134916 (E_RNA)
where:
Base-Base interactions energy: -410.427
where: short stacking energy: -165.198
Base-Backbone interact. energy: 1.212
local terms energy: -208.920131
where:
bonds (distance) C4'-P energy: -44.034
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -46.174
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -38.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -454.146297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.146297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.146297 (E_RNA)
where:
Base-Base interactions energy: -272.044
where: short stacking energy: -123.476
Base-Backbone interact. energy: 2.308
local terms energy: -184.410163
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -48.922
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -304.854675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.854675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.854675 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -94.712
Base-Backbone interact. energy: -0.585
local terms energy: -166.617032
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -6.138
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -256.782378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.782378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.782378 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.555
local terms energy: -139.488680
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -918.637584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.637584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.637584 (E_RNA)
where:
Base-Base interactions energy: -626.762
where: short stacking energy: -281.230
Base-Backbone interact. energy: 0.213
local terms energy: -292.088152
where:
bonds (distance) C4'-P energy: -49.080
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -65.455
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -79.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -872.039859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.039859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.039859 (E_RNA)
where:
Base-Base interactions energy: -603.921
where: short stacking energy: -246.649
Base-Backbone interact. energy: -0.839
local terms energy: -267.280149
where:
bonds (distance) C4'-P energy: -51.623
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -56.765
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -64.318
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: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -809.615067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.615067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.615067 (E_RNA)
where:
Base-Base interactions energy: -544.771
where: short stacking energy: -246.976
Base-Backbone interact. energy: 2.304
local terms energy: -267.147923
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -67.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -790.467567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.467567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.467567 (E_RNA)
where:
Base-Base interactions energy: -543.807
where: short stacking energy: -233.584
Base-Backbone interact. energy: -1.310
local terms energy: -245.350477
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -60.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -705.648263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.648263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.648263 (E_RNA)
where:
Base-Base interactions energy: -465.442
where: short stacking energy: -194.931
Base-Backbone interact. energy: -0.230
local terms energy: -239.975918
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -46.267
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -51.202
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: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -684.736169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.736169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.736169 (E_RNA)
where:
Base-Base interactions energy: -451.111
where: short stacking energy: -211.629
Base-Backbone interact. energy: -0.362
local terms energy: -233.263003
where:
bonds (distance) C4'-P energy: -50.883
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -52.901
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: 118
Temperature: 1.200000
Total energy: -636.705136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.705136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.705136 (E_RNA)
where:
Base-Base interactions energy: -425.147
where: short stacking energy: -180.943
Base-Backbone interact. energy: 1.052
local terms energy: -212.610186
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -463.208113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.208113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.208113 (E_RNA)
where:
Base-Base interactions energy: -264.302
where: short stacking energy: -119.374
Base-Backbone interact. energy: 2.016
local terms energy: -200.922355
where:
bonds (distance) C4'-P energy: -43.663
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -49.631
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: -23.165
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: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -293.003558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.003558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.003558 (E_RNA)
where:
Base-Base interactions energy: -148.861
where: short stacking energy: -86.738
Base-Backbone interact. energy: -0.869
local terms energy: -143.273482
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -38.495
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -4.296
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -259.920921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.920921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.920921 (E_RNA)
where:
Base-Base interactions energy: -105.592
where: short stacking energy: -81.788
Base-Backbone interact. energy: -1.447
local terms energy: -152.881653
where:
bonds (distance) C4'-P energy: -46.303
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -905.490779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.490779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.490779 (E_RNA)
where:
Base-Base interactions energy: -624.864
where: short stacking energy: -263.994
Base-Backbone interact. energy: -1.327
local terms energy: -279.299714
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -50.410
flat angles C4'-P-C4' energy: -58.280
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -78.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -880.305659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.305659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.305659 (E_RNA)
where:
Base-Base interactions energy: -620.453
where: short stacking energy: -268.022
Base-Backbone interact. energy: -1.120
local terms energy: -258.732557
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -78.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -803.651323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.651323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.651323 (E_RNA)
where:
Base-Base interactions energy: -546.269
where: short stacking energy: -236.337
Base-Backbone interact. energy: -1.843
local terms energy: -255.538894
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -57.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -812.431200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.431200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.431200 (E_RNA)
where:
Base-Base interactions energy: -559.524
where: short stacking energy: -241.129
Base-Backbone interact. energy: -1.503
local terms energy: -251.404940
where:
bonds (distance) C4'-P energy: -53.300
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -51.325
flat angles P-C4'-P energy: -30.610
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: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -739.147015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.147015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.147015 (E_RNA)
where:
Base-Base interactions energy: -491.780
where: short stacking energy: -239.713
Base-Backbone interact. energy: 1.292
local terms energy: -248.659350
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -57.390
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -61.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -720.251376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.251376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.251376 (E_RNA)
where:
Base-Base interactions energy: -488.631
where: short stacking energy: -217.647
Base-Backbone interact. energy: -1.167
local terms energy: -230.452573
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -58.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -654.989733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.989733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.989733 (E_RNA)
where:
Base-Base interactions energy: -436.502
where: short stacking energy: -190.030
Base-Backbone interact. energy: -1.139
local terms energy: -217.347911
where:
bonds (distance) C4'-P energy: -41.340
bonds (distance) P-C4' energy: -54.308
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -36.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -517.754703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.754703 (E_RNA)
where:
Base-Base interactions energy: -329.557
where: short stacking energy: -168.418
Base-Backbone interact. energy: 2.109
local terms energy: -190.307162
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -56.321
flat angles C4'-P-C4' energy: -48.708
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -290.490392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.490392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.490392 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -80.322
Base-Backbone interact. energy: -0.898
local terms energy: -141.663086
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -53.299
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -231.327124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.327124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.327124 (E_RNA)
where:
Base-Base interactions energy: -75.551
where: short stacking energy: -57.730
Base-Backbone interact. energy: 3.828
local terms energy: -159.604416
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: 3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -899.924437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.924437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.924437 (E_RNA)
where:
Base-Base interactions energy: -623.237
where: short stacking energy: -260.880
Base-Backbone interact. energy: -1.029
local terms energy: -275.658478
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -53.062
flat angles C4'-P-C4' energy: -57.668
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -70.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -906.155983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.155983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.155983 (E_RNA)
where:
Base-Base interactions energy: -640.588
where: short stacking energy: -265.285
Base-Backbone interact. energy: 0.315
local terms energy: -265.883051
where:
bonds (distance) C4'-P energy: -40.779
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -65.576
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -71.814
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: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -809.349500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.349500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.349500 (E_RNA)
where:
Base-Base interactions energy: -546.053
where: short stacking energy: -245.472
Base-Backbone interact. energy: -0.130
local terms energy: -263.166224
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -55.270
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -31.650
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: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -794.892444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.892444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.892444 (E_RNA)
where:
Base-Base interactions energy: -547.014
where: short stacking energy: -220.154
Base-Backbone interact. energy: -0.920
local terms energy: -246.958706
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -45.252
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -39.697
tors. eta vs tors. theta energy: -59.741
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -712.712545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.712545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.712545 (E_RNA)
where:
Base-Base interactions energy: -474.513
where: short stacking energy: -205.256
Base-Backbone interact. energy: -0.191
local terms energy: -238.008420
where:
bonds (distance) C4'-P energy: -42.751
bonds (distance) P-C4' energy: -46.528
flat angles C4'-P-C4' energy: -48.721
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -55.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -659.502237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.502237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.502237 (E_RNA)
where:
Base-Base interactions energy: -446.008
where: short stacking energy: -210.077
Base-Backbone interact. energy: 0.641
local terms energy: -214.135343
where:
bonds (distance) C4'-P energy: -38.923
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -49.846
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -50.015
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: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -653.967671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.967671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.967671 (E_RNA)
where:
Base-Base interactions energy: -439.468
where: short stacking energy: -194.833
Base-Backbone interact. energy: -1.182
local terms energy: -213.318259
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -41.906
flat angles C4'-P-C4' energy: -44.530
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -53.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -484.922682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.922682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.922682 (E_RNA)
where:
Base-Base interactions energy: -297.855
where: short stacking energy: -131.933
Base-Backbone interact. energy: -1.012
local terms energy: -186.055705
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -32.477
tors. eta vs tors. theta energy: -30.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -256.890870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.890870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.890870 (E_RNA)
where:
Base-Base interactions energy: -106.880
where: short stacking energy: -81.075
Base-Backbone interact. energy: -1.037
local terms energy: -148.973712
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -37.710
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -224.769632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.769632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.769632 (E_RNA)
where:
Base-Base interactions energy: -65.839
where: short stacking energy: -57.509
Base-Backbone interact. energy: -1.697
local terms energy: -157.234144
where:
bonds (distance) C4'-P energy: -50.448
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -34.358
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -909.440633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.440633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.440633 (E_RNA)
where:
Base-Base interactions energy: -633.832
where: short stacking energy: -251.972
Base-Backbone interact. energy: -0.883
local terms energy: -274.726528
where:
bonds (distance) C4'-P energy: -51.295
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -68.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -902.603566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.603566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.603566 (E_RNA)
where:
Base-Base interactions energy: -614.865
where: short stacking energy: -272.950
Base-Backbone interact. energy: 0.030
local terms energy: -287.769005
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -60.142
flat angles P-C4'-P energy: -48.420
tors. eta vs tors. theta energy: -75.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -798.401247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.401247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.401247 (E_RNA)
where:
Base-Base interactions energy: -532.939
where: short stacking energy: -233.480
Base-Backbone interact. energy: -0.305
local terms energy: -265.157021
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -62.903
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: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -794.541774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.541774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.541774 (E_RNA)
where:
Base-Base interactions energy: -529.433
where: short stacking energy: -235.505
Base-Backbone interact. energy: -0.922
local terms energy: -264.186505
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -57.091
flat angles C4'-P-C4' energy: -59.732
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -69.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -696.694172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.694172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.694172 (E_RNA)
where:
Base-Base interactions energy: -472.082
where: short stacking energy: -202.229
Base-Backbone interact. energy: -1.178
local terms energy: -223.434215
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -49.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -674.107354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.107354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.107354 (E_RNA)
where:
Base-Base interactions energy: -451.838
where: short stacking energy: -198.384
Base-Backbone interact. energy: -1.095
local terms energy: -221.174046
where:
bonds (distance) C4'-P energy: -35.261
bonds (distance) P-C4' energy: -47.679
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -53.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -642.750668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.750668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.750668 (E_RNA)
where:
Base-Base interactions energy: -433.348
where: short stacking energy: -185.235
Base-Backbone interact. energy: -0.113
local terms energy: -209.289111
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -28.680
tors. eta vs tors. theta energy: -44.023
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: 121
Temperature: 1.250000
Total energy: -490.668418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.668418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.668418 (E_RNA)
where:
Base-Base interactions energy: -286.709
where: short stacking energy: -139.314
Base-Backbone interact. energy: -0.620
local terms energy: -203.338991
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -56.779
flat angles C4'-P-C4' energy: -49.996
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -241.959438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.959438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.959438 (E_RNA)
where:
Base-Base interactions energy: -83.821
where: short stacking energy: -69.962
Base-Backbone interact. energy: -0.685
local terms energy: -157.453517
where:
bonds (distance) C4'-P energy: -53.557
bonds (distance) P-C4' energy: -52.134
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -0.582
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -220.154943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.154943 (E_RNA)
where:
Base-Base interactions energy: -85.175
where: short stacking energy: -61.905
Base-Backbone interact. energy: 1.649
local terms energy: -136.628734
where:
bonds (distance) C4'-P energy: -42.407
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -47.474
flat angles P-C4'-P energy: -23.152
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: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -900.161255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.161255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.161255 (E_RNA)
where:
Base-Base interactions energy: -627.413
where: short stacking energy: -269.894
Base-Backbone interact. energy: -0.852
local terms energy: -271.896610
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -54.432
flat angles C4'-P-C4' energy: -58.041
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -69.397
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: 122
Temperature: 0.950000
Total energy: -916.997573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.997573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.997573 (E_RNA)
where:
Base-Base interactions energy: -630.193
where: short stacking energy: -260.761
Base-Backbone interact. energy: -3.032
local terms energy: -283.772867
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -69.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -818.621408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.621408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.621408 (E_RNA)
where:
Base-Base interactions energy: -554.949
where: short stacking energy: -251.837
Base-Backbone interact. energy: -0.861
local terms energy: -262.811157
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -55.751
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -62.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -783.164547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.164547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.164547 (E_RNA)
where:
Base-Base interactions energy: -536.848
where: short stacking energy: -234.367
Base-Backbone interact. energy: -0.526
local terms energy: -245.790643
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -40.689
flat angles C4'-P-C4' energy: -64.372
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -66.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -752.362353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.362353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.362353 (E_RNA)
where:
Base-Base interactions energy: -504.090
where: short stacking energy: -222.828
Base-Backbone interact. energy: -2.401
local terms energy: -245.870989
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -49.457
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -56.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -707.244342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.244342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.244342 (E_RNA)
where:
Base-Base interactions energy: -478.548
where: short stacking energy: -205.465
Base-Backbone interact. energy: -1.451
local terms energy: -227.245306
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -56.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -639.766738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.766738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.766738 (E_RNA)
where:
Base-Base interactions energy: -424.221
where: short stacking energy: -181.677
Base-Backbone interact. energy: -0.433
local terms energy: -215.112714
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -54.896
flat angles C4'-P-C4' energy: -49.519
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -47.809
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -456.230892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.230892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.230892 (E_RNA)
where:
Base-Base interactions energy: -281.908
where: short stacking energy: -143.971
Base-Backbone interact. energy: -0.974
local terms energy: -173.348669
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -47.806
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -233.529452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.529452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.529452 (E_RNA)
where:
Base-Base interactions energy: -68.489
where: short stacking energy: -59.981
Base-Backbone interact. energy: 1.711
local terms energy: -166.752068
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -54.409
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: 6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -255.585291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.585291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.585291 (E_RNA)
where:
Base-Base interactions energy: -108.733
where: short stacking energy: -92.880
Base-Backbone interact. energy: -1.831
local terms energy: -145.021449
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -39.866
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -911.309448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.309448 (E_RNA)
where:
Base-Base interactions energy: -621.071
where: short stacking energy: -267.581
Base-Backbone interact. energy: -0.320
local terms energy: -289.918151
where:
bonds (distance) C4'-P energy: -47.743
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -74.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -900.216366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.216366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.216366 (E_RNA)
where:
Base-Base interactions energy: -634.580
where: short stacking energy: -270.587
Base-Backbone interact. energy: -2.607
local terms energy: -263.029900
where:
bonds (distance) C4'-P energy: -47.300
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -52.013
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -74.124
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: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -784.533787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.533787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.533787 (E_RNA)
where:
Base-Base interactions energy: -533.390
where: short stacking energy: -226.670
Base-Backbone interact. energy: -0.585
local terms energy: -250.557946
where:
bonds (distance) C4'-P energy: -51.473
bonds (distance) P-C4' energy: -49.993
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -35.886
tors. eta vs tors. theta energy: -57.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -805.159059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.159059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.159059 (E_RNA)
where:
Base-Base interactions energy: -561.394
where: short stacking energy: -226.818
Base-Backbone interact. energy: 0.137
local terms energy: -243.902681
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -54.655
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -48.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -759.083373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.083373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.083373 (E_RNA)
where:
Base-Base interactions energy: -513.603
where: short stacking energy: -234.585
Base-Backbone interact. energy: -1.173
local terms energy: -244.307507
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -31.079
tors. eta vs tors. theta energy: -61.884
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: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -695.298892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.298892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.298892 (E_RNA)
where:
Base-Base interactions energy: -446.331
where: short stacking energy: -199.839
Base-Backbone interact. energy: -1.230
local terms energy: -247.738634
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -56.297
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -64.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -656.505896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.505896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.505896 (E_RNA)
where:
Base-Base interactions energy: -439.117
where: short stacking energy: -181.993
Base-Backbone interact. energy: 4.950
local terms energy: -222.338294
where:
bonds (distance) C4'-P energy: -47.669
bonds (distance) P-C4' energy: -50.847
flat angles C4'-P-C4' energy: -46.858
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -450.870941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.870941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.870941 (E_RNA)
where:
Base-Base interactions energy: -270.745
where: short stacking energy: -156.279
Base-Backbone interact. energy: -0.934
local terms energy: -179.192119
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -45.343
flat angles C4'-P-C4' energy: -50.260
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -24.823
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: 123
Temperature: 1.300000
Total energy: -253.444264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.444264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.444264 (E_RNA)
where:
Base-Base interactions energy: -90.965
where: short stacking energy: -76.313
Base-Backbone interact. energy: -1.544
local terms energy: -160.935300
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -43.222
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: 4.054
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -230.577918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.577918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.577918 (E_RNA)
where:
Base-Base interactions energy: -80.311
where: short stacking energy: -65.396
Base-Backbone interact. energy: 0.378
local terms energy: -150.644200
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -5.221
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: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -922.446005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.446005 (E_RNA)
where:
Base-Base interactions energy: -637.266
where: short stacking energy: -277.116
Base-Backbone interact. energy: 1.034
local terms energy: -286.213981
where:
bonds (distance) C4'-P energy: -50.189
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -72.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -891.124532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.124532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.124532 (E_RNA)
where:
Base-Base interactions energy: -608.532
where: short stacking energy: -271.509
Base-Backbone interact. energy: -2.058
local terms energy: -280.534791
where:
bonds (distance) C4'-P energy: -54.268
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: -75.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -839.984331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.984331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.984331 (E_RNA)
where:
Base-Base interactions energy: -575.951
where: short stacking energy: -244.047
Base-Backbone interact. energy: -2.934
local terms energy: -261.098947
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -46.461
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -41.060
tors. eta vs tors. theta energy: -62.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -806.317112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.317112 (E_RNA)
where:
Base-Base interactions energy: -547.024
where: short stacking energy: -239.116
Base-Backbone interact. energy: -1.244
local terms energy: -258.049080
where:
bonds (distance) C4'-P energy: -52.943
bonds (distance) P-C4' energy: -47.958
flat angles C4'-P-C4' energy: -55.669
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -63.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -756.489423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.489423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.489423 (E_RNA)
where:
Base-Base interactions energy: -522.749
where: short stacking energy: -234.831
Base-Backbone interact. energy: -0.716
local terms energy: -233.024580
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -47.530
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: -57.010
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -684.193445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.193445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.193445 (E_RNA)
where:
Base-Base interactions energy: -448.771
where: short stacking energy: -199.666
Base-Backbone interact. energy: 2.303
local terms energy: -237.725285
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -56.408
flat angles P-C4'-P energy: -40.249
tors. eta vs tors. theta energy: -49.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -662.248702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.248702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.248702 (E_RNA)
where:
Base-Base interactions energy: -435.739
where: short stacking energy: -186.448
Base-Backbone interact. energy: -1.000
local terms energy: -225.509470
where:
bonds (distance) C4'-P energy: -45.973
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -47.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -442.019551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.019551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.019551 (E_RNA)
where:
Base-Base interactions energy: -260.071
where: short stacking energy: -126.961
Base-Backbone interact. energy: 1.330
local terms energy: -183.278382
where:
bonds (distance) C4'-P energy: -37.425
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -47.571
flat angles P-C4'-P energy: -31.797
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -241.398503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.398503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.398503 (E_RNA)
where:
Base-Base interactions energy: -74.887
where: short stacking energy: -63.729
Base-Backbone interact. energy: 0.559
local terms energy: -167.070333
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -1.389
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: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -222.509067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509067 (E_RNA)
where:
Base-Base interactions energy: -75.007
where: short stacking energy: -51.302
Base-Backbone interact. energy: 4.071
local terms energy: -151.573226
where:
bonds (distance) C4'-P energy: -56.689
bonds (distance) P-C4' energy: -45.603
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: 13.197
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: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -889.990159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.990159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.990159 (E_RNA)
where:
Base-Base interactions energy: -615.747
where: short stacking energy: -246.976
Base-Backbone interact. energy: -0.468
local terms energy: -273.775495
where:
bonds (distance) C4'-P energy: -52.151
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -38.574
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: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -889.944040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.944040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.944040 (E_RNA)
where:
Base-Base interactions energy: -600.849
where: short stacking energy: -258.458
Base-Backbone interact. energy: 1.066
local terms energy: -290.160155
where:
bonds (distance) C4'-P energy: -54.081
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -70.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -832.078985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.078985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.078985 (E_RNA)
where:
Base-Base interactions energy: -573.045
where: short stacking energy: -251.729
Base-Backbone interact. energy: -4.166
local terms energy: -254.867468
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -49.162
flat angles C4'-P-C4' energy: -60.127
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -68.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -785.629582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.629582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.629582 (E_RNA)
where:
Base-Base interactions energy: -550.825
where: short stacking energy: -229.656
Base-Backbone interact. energy: 1.796
local terms energy: -236.600713
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -789.127938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.127938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.127938 (E_RNA)
where:
Base-Base interactions energy: -546.743
where: short stacking energy: -246.172
Base-Backbone interact. energy: -0.822
local terms energy: -241.562667
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -66.562
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: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -657.078337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.078337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.078337 (E_RNA)
where:
Base-Base interactions energy: -426.564
where: short stacking energy: -194.177
Base-Backbone interact. energy: 2.086
local terms energy: -232.600567
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -53.952
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -674.843079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.843079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.843079 (E_RNA)
where:
Base-Base interactions energy: -463.198
where: short stacking energy: -200.422
Base-Backbone interact. energy: -0.964
local terms energy: -210.681430
where:
bonds (distance) C4'-P energy: -43.358
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -50.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -519.866232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.866232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.866232 (E_RNA)
where:
Base-Base interactions energy: -344.717
where: short stacking energy: -147.013
Base-Backbone interact. energy: 0.302
local terms energy: -175.451722
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -36.016
flat angles C4'-P-C4' energy: -43.589
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -29.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -259.909722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.909722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.909722 (E_RNA)
where:
Base-Base interactions energy: -105.000
where: short stacking energy: -78.240
Base-Backbone interact. energy: 3.104
local terms energy: -158.014578
where:
bonds (distance) C4'-P energy: -43.607
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -225.636126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.636126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.636126 (E_RNA)
where:
Base-Base interactions energy: -70.752
where: short stacking energy: -64.447
Base-Backbone interact. energy: 1.173
local terms energy: -156.057211
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -42.432
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -908.562600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.562600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.562600 (E_RNA)
where:
Base-Base interactions energy: -628.838
where: short stacking energy: -271.299
Base-Backbone interact. energy: -1.863
local terms energy: -277.861319
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -55.698
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -76.565
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: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -878.868097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.868097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.868097 (E_RNA)
where:
Base-Base interactions energy: -591.985
where: short stacking energy: -269.920
Base-Backbone interact. energy: -1.632
local terms energy: -285.251698
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -60.938
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -71.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -804.967863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.967863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.967863 (E_RNA)
where:
Base-Base interactions energy: -557.898
where: short stacking energy: -248.439
Base-Backbone interact. energy: -0.196
local terms energy: -246.874109
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -51.385
flat angles C4'-P-C4' energy: -55.658
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -55.220
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: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -778.070160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.070160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.070160 (E_RNA)
where:
Base-Base interactions energy: -541.701
where: short stacking energy: -230.082
Base-Backbone interact. energy: -1.776
local terms energy: -234.592993
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -50.529
flat angles P-C4'-P energy: -26.499
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: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -765.382012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.382012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.382012 (E_RNA)
where:
Base-Base interactions energy: -527.808
where: short stacking energy: -209.418
Base-Backbone interact. energy: 1.724
local terms energy: -239.298539
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -50.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -660.795719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.795719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.795719 (E_RNA)
where:
Base-Base interactions energy: -445.687
where: short stacking energy: -191.955
Base-Backbone interact. energy: 0.181
local terms energy: -215.289893
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -42.359
flat angles C4'-P-C4' energy: -53.138
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -667.865982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.865982 (E_RNA)
where:
Base-Base interactions energy: -452.209
where: short stacking energy: -184.495
Base-Backbone interact. energy: -0.707
local terms energy: -214.950213
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -44.409
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -43.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -536.288613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.288613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.288613 (E_RNA)
where:
Base-Base interactions energy: -335.297
where: short stacking energy: -160.950
Base-Backbone interact. energy: -0.768
local terms energy: -200.222831
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -48.058
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -40.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -240.735223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.735223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.735223 (E_RNA)
where:
Base-Base interactions energy: -102.327
where: short stacking energy: -94.342
Base-Backbone interact. energy: -1.463
local terms energy: -136.945261
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -31.981
flat angles C4'-P-C4' energy: -41.897
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: 3.752
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: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -226.868555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.868555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.868555 (E_RNA)
where:
Base-Base interactions energy: -85.955
where: short stacking energy: -76.167
Base-Backbone interact. energy: 1.225
local terms energy: -142.138805
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -912.752884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.752884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.752884 (E_RNA)
where:
Base-Base interactions energy: -620.078
where: short stacking energy: -260.774
Base-Backbone interact. energy: -2.277
local terms energy: -290.398055
where:
bonds (distance) C4'-P energy: -60.650
bonds (distance) P-C4' energy: -53.676
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -37.690
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: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -900.079460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.079460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.079460 (E_RNA)
where:
Base-Base interactions energy: -619.988
where: short stacking energy: -263.774
Base-Backbone interact. energy: -1.632
local terms energy: -278.459397
where:
bonds (distance) C4'-P energy: -55.458
bonds (distance) P-C4' energy: -49.602
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -74.087
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: 127
Temperature: 1.000000
Total energy: -811.762530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.762530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.762530 (E_RNA)
where:
Base-Base interactions energy: -559.693
where: short stacking energy: -243.617
Base-Backbone interact. energy: -2.571
local terms energy: -249.498242
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -51.241
flat angles C4'-P-C4' energy: -57.918
flat angles P-C4'-P energy: -42.560
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -778.522721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.522721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.522721 (E_RNA)
where:
Base-Base interactions energy: -540.770
where: short stacking energy: -224.026
Base-Backbone interact. energy: 1.707
local terms energy: -239.459797
where:
bonds (distance) C4'-P energy: -43.523
bonds (distance) P-C4' energy: -45.295
flat angles C4'-P-C4' energy: -57.002
flat angles P-C4'-P energy: -30.358
tors. eta vs tors. theta energy: -63.282
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -741.489725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.489725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.489725 (E_RNA)
where:
Base-Base interactions energy: -504.496
where: short stacking energy: -229.265
Base-Backbone interact. energy: -0.587
local terms energy: -236.406583
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -47.475
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -60.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -702.282576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.282576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.282576 (E_RNA)
where:
Base-Base interactions energy: -475.815
where: short stacking energy: -208.148
Base-Backbone interact. energy: -1.118
local terms energy: -225.349456
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -53.419
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -56.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -671.811903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.811903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.811903 (E_RNA)
where:
Base-Base interactions energy: -440.305
where: short stacking energy: -196.069
Base-Backbone interact. energy: -2.305
local terms energy: -229.201623
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -34.287
tors. eta vs tors. theta energy: -47.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -471.091652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.091652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.091652 (E_RNA)
where:
Base-Base interactions energy: -265.304
where: short stacking energy: -136.838
Base-Backbone interact. energy: -0.390
local terms energy: -205.397994
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -50.950
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -30.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -262.688362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.688362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.688362 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -80.136
Base-Backbone interact. energy: -1.444
local terms energy: -160.882268
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -49.520
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: 2.389
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -219.190560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.190560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190560 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -53.275
Base-Backbone interact. energy: 0.438
local terms energy: -161.445508
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: 4.927
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: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -911.169405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.169405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.169405 (E_RNA)
where:
Base-Base interactions energy: -624.218
where: short stacking energy: -261.007
Base-Backbone interact. energy: -1.150
local terms energy: -285.800552
where:
bonds (distance) C4'-P energy: -51.862
bonds (distance) P-C4' energy: -59.787
flat angles C4'-P-C4' energy: -57.403
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -899.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.347606 (E_RNA)
where:
Base-Base interactions energy: -626.983
where: short stacking energy: -274.351
Base-Backbone interact. energy: -0.915
local terms energy: -271.449400
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -47.071
flat angles C4'-P-C4' energy: -59.679
flat angles P-C4'-P energy: -39.399
tors. eta vs tors. theta energy: -73.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -815.679661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.679661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.679661 (E_RNA)
where:
Base-Base interactions energy: -549.937
where: short stacking energy: -222.605
Base-Backbone interact. energy: -0.819
local terms energy: -264.923812
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -69.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -775.266110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.266110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.266110 (E_RNA)
where:
Base-Base interactions energy: -533.032
where: short stacking energy: -232.811
Base-Backbone interact. energy: 0.852
local terms energy: -243.085959
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -55.740
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -54.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -736.102656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.102656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.102656 (E_RNA)
where:
Base-Base interactions energy: -502.204
where: short stacking energy: -203.949
Base-Backbone interact. energy: -0.611
local terms energy: -233.287859
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -61.823
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -54.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -701.131873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.131873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.131873 (E_RNA)
where:
Base-Base interactions energy: -482.078
where: short stacking energy: -191.915
Base-Backbone interact. energy: -1.852
local terms energy: -217.201115
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -47.831
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -660.576168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.576168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.576168 (E_RNA)
where:
Base-Base interactions energy: -450.433
where: short stacking energy: -184.449
Base-Backbone interact. energy: -1.690
local terms energy: -208.453297
where:
bonds (distance) C4'-P energy: -46.921
bonds (distance) P-C4' energy: -48.470
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -41.603
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: 128
Temperature: 1.250000
Total energy: -492.849539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.849539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.849539 (E_RNA)
where:
Base-Base interactions energy: -307.846
where: short stacking energy: -141.122
Base-Backbone interact. energy: -2.057
local terms energy: -182.946850
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -238.247760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.247760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.247760 (E_RNA)
where:
Base-Base interactions energy: -90.064
where: short stacking energy: -87.996
Base-Backbone interact. energy: 6.844
local terms energy: -155.027254
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -37.837
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -246.511348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.511348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.511348 (E_RNA)
where:
Base-Base interactions energy: -95.021
where: short stacking energy: -58.913
Base-Backbone interact. energy: 0.765
local terms energy: -152.255669
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -46.845
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: 6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -905.325097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.325097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.325097 (E_RNA)
where:
Base-Base interactions energy: -627.677
where: short stacking energy: -262.802
Base-Backbone interact. energy: 0.387
local terms energy: -278.035334
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -71.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -890.652072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.652072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.652072 (E_RNA)
where:
Base-Base interactions energy: -604.948
where: short stacking energy: -265.467
Base-Backbone interact. energy: -1.984
local terms energy: -283.719392
where:
bonds (distance) C4'-P energy: -53.941
bonds (distance) P-C4' energy: -59.729
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -68.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -811.290158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.290158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.290158 (E_RNA)
where:
Base-Base interactions energy: -550.772
where: short stacking energy: -259.779
Base-Backbone interact. energy: 2.293
local terms energy: -262.810979
where:
bonds (distance) C4'-P energy: -52.716
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -39.768
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -791.439554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.439554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.439554 (E_RNA)
where:
Base-Base interactions energy: -530.118
where: short stacking energy: -220.257
Base-Backbone interact. energy: -1.771
local terms energy: -259.550076
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -756.782351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.782351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.782351 (E_RNA)
where:
Base-Base interactions energy: -510.127
where: short stacking energy: -211.434
Base-Backbone interact. energy: -0.348
local terms energy: -246.307879
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -51.395
flat angles C4'-P-C4' energy: -44.976
flat angles P-C4'-P energy: -41.723
tors. eta vs tors. theta energy: -59.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -685.594144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.594144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.594144 (E_RNA)
where:
Base-Base interactions energy: -460.091
where: short stacking energy: -190.238
Base-Backbone interact. energy: -0.026
local terms energy: -225.476977
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -50.850
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -679.671782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.671782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.671782 (E_RNA)
where:
Base-Base interactions energy: -444.541
where: short stacking energy: -194.112
Base-Backbone interact. energy: -1.688
local terms energy: -233.442987
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -46.869
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -52.763
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -481.109386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.109386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.109386 (E_RNA)
where:
Base-Base interactions energy: -295.471
where: short stacking energy: -134.979
Base-Backbone interact. energy: -0.186
local terms energy: -185.452795
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -244.848549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.848549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.848549 (E_RNA)
where:
Base-Base interactions energy: -85.513
where: short stacking energy: -65.982
Base-Backbone interact. energy: -1.164
local terms energy: -158.172157
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -51.524
flat angles C4'-P-C4' energy: -44.428
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: 10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -223.185061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.185061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.185061 (E_RNA)
where:
Base-Base interactions energy: -78.866
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.758
local terms energy: -143.560942
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: 11.024
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -913.126894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.126894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.126894 (E_RNA)
where:
Base-Base interactions energy: -637.108
where: short stacking energy: -265.506
Base-Backbone interact. energy: -0.613
local terms energy: -275.405285
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -73.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -848.280924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.280924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.280924 (E_RNA)
where:
Base-Base interactions energy: -579.827
where: short stacking energy: -246.407
Base-Backbone interact. energy: 0.855
local terms energy: -269.308706
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -54.926
flat angles P-C4'-P energy: -36.131
tors. eta vs tors. theta energy: -62.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -815.526438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.526438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.526438 (E_RNA)
where:
Base-Base interactions energy: -553.144
where: short stacking energy: -242.564
Base-Backbone interact. energy: -0.804
local terms energy: -261.579052
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -53.708
flat angles P-C4'-P energy: -39.331
tors. eta vs tors. theta energy: -67.256
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: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -770.162945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.162945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.162945 (E_RNA)
where:
Base-Base interactions energy: -517.472
where: short stacking energy: -230.171
Base-Backbone interact. energy: 0.768
local terms energy: -253.458724
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -54.174
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -61.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -736.899455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.899455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.899455 (E_RNA)
where:
Base-Base interactions energy: -500.488
where: short stacking energy: -201.169
Base-Backbone interact. energy: 2.733
local terms energy: -239.144341
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -51.535
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -54.398
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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -649.746350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.746350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.746350 (E_RNA)
where:
Base-Base interactions energy: -419.746
where: short stacking energy: -191.625
Base-Backbone interact. energy: 3.109
local terms energy: -233.109350
where:
bonds (distance) C4'-P energy: -54.731
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -34.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -630.613345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.613345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.613345 (E_RNA)
where:
Base-Base interactions energy: -414.792
where: short stacking energy: -183.803
Base-Backbone interact. energy: 0.290
local terms energy: -216.110925
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -52.056
flat angles C4'-P-C4' energy: -41.490
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -46.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -442.685223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.685223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.685223 (E_RNA)
where:
Base-Base interactions energy: -256.702
where: short stacking energy: -133.952
Base-Backbone interact. energy: -0.616
local terms energy: -185.367900
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -48.647
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -30.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -249.448969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.448969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.448969 (E_RNA)
where:
Base-Base interactions energy: -88.364
where: short stacking energy: -70.931
Base-Backbone interact. energy: 0.925
local terms energy: -162.009322
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -44.288
flat angles C4'-P-C4' energy: -48.464
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -2.061
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: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -257.729498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.729498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.729498 (E_RNA)
where:
Base-Base interactions energy: -97.565
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.323
local terms energy: -159.841593
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -904.079118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.079118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.079118 (E_RNA)
where:
Base-Base interactions energy: -617.782
where: short stacking energy: -262.781
Base-Backbone interact. energy: -2.217
local terms energy: -284.079813
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -52.443
flat angles C4'-P-C4' energy: -62.386
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -78.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -866.576233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.576233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.576233 (E_RNA)
where:
Base-Base interactions energy: -596.557
where: short stacking energy: -264.460
Base-Backbone interact. energy: -0.375
local terms energy: -269.644593
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -71.633
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: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -808.420632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.420632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.420632 (E_RNA)
where:
Base-Base interactions energy: -558.009
where: short stacking energy: -232.761
Base-Backbone interact. energy: -0.153
local terms energy: -250.257978
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -50.697
flat angles C4'-P-C4' energy: -58.709
flat angles P-C4'-P energy: -32.391
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -767.901398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.901398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.901398 (E_RNA)
where:
Base-Base interactions energy: -521.637
where: short stacking energy: -217.630
Base-Backbone interact. energy: 1.186
local terms energy: -247.450323
where:
bonds (distance) C4'-P energy: -52.021
bonds (distance) P-C4' energy: -54.710
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -755.886393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.886393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.886393 (E_RNA)
where:
Base-Base interactions energy: -510.067
where: short stacking energy: -229.529
Base-Backbone interact. energy: 0.774
local terms energy: -246.592977
where:
bonds (distance) C4'-P energy: -45.479
bonds (distance) P-C4' energy: -52.507
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -33.277
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: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -651.626794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.626794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.626794 (E_RNA)
where:
Base-Base interactions energy: -427.428
where: short stacking energy: -201.381
Base-Backbone interact. energy: -1.811
local terms energy: -222.388194
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -42.159
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -45.111
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: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -614.145784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.145784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.145784 (E_RNA)
where:
Base-Base interactions energy: -391.174
where: short stacking energy: -162.142
Base-Backbone interact. energy: -0.983
local terms energy: -221.988330
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -45.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -466.228956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.228956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.228956 (E_RNA)
where:
Base-Base interactions energy: -281.887
where: short stacking energy: -139.753
Base-Backbone interact. energy: -0.452
local terms energy: -183.889952
where:
bonds (distance) C4'-P energy: -37.590
bonds (distance) P-C4' energy: -42.797
flat angles C4'-P-C4' energy: -43.457
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -236.593539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.593539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.593539 (E_RNA)
where:
Base-Base interactions energy: -71.947
where: short stacking energy: -55.460
Base-Backbone interact. energy: 1.349
local terms energy: -165.996042
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -50.031
flat angles C4'-P-C4' energy: -52.293
flat angles P-C4'-P energy: -23.654
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -217.105360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.105360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.105360 (E_RNA)
where:
Base-Base interactions energy: -79.200
where: short stacking energy: -68.510
Base-Backbone interact. energy: 3.318
local terms energy: -141.223350
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -45.541
flat angles C4'-P-C4' energy: -40.395
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: 5.031
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -902.811985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.811985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.811985 (E_RNA)
where:
Base-Base interactions energy: -621.298
where: short stacking energy: -253.984
Base-Backbone interact. energy: -1.301
local terms energy: -280.212487
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -62.757
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -72.262
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: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -868.943803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.943803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.943803 (E_RNA)
where:
Base-Base interactions energy: -591.135
where: short stacking energy: -264.168
Base-Backbone interact. energy: -2.053
local terms energy: -275.756028
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -67.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -816.934722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.934722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.934722 (E_RNA)
where:
Base-Base interactions energy: -541.829
where: short stacking energy: -235.965
Base-Backbone interact. energy: -0.294
local terms energy: -274.812186
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -61.082
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -61.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -775.018289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.018289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.018289 (E_RNA)
where:
Base-Base interactions energy: -511.992
where: short stacking energy: -219.586
Base-Backbone interact. energy: -0.613
local terms energy: -262.413831
where:
bonds (distance) C4'-P energy: -57.765
bonds (distance) P-C4' energy: -44.494
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -59.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -775.851717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.851717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.851717 (E_RNA)
where:
Base-Base interactions energy: -527.010
where: short stacking energy: -220.174
Base-Backbone interact. energy: -0.669
local terms energy: -248.172635
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -63.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -651.341671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.341671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.341671 (E_RNA)
where:
Base-Base interactions energy: -432.750
where: short stacking energy: -193.049
Base-Backbone interact. energy: -1.381
local terms energy: -217.211181
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -30.481
tors. eta vs tors. theta energy: -41.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -652.878594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.878594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.878594 (E_RNA)
where:
Base-Base interactions energy: -421.162
where: short stacking energy: -196.407
Base-Backbone interact. energy: -0.765
local terms energy: -230.951685
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -47.161
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: 132
Temperature: 1.250000
Total energy: -466.088435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.088435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.088435 (E_RNA)
where:
Base-Base interactions energy: -285.719
where: short stacking energy: -135.083
Base-Backbone interact. energy: -1.452
local terms energy: -178.917256
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -255.955900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.955900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.955900 (E_RNA)
where:
Base-Base interactions energy: -94.450
where: short stacking energy: -79.625
Base-Backbone interact. energy: -0.736
local terms energy: -160.769642
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -55.083
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -222.892524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892524 (E_RNA)
where:
Base-Base interactions energy: -90.922
where: short stacking energy: -84.880
Base-Backbone interact. energy: 1.146
local terms energy: -133.116552
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -909.844949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.844949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.844949 (E_RNA)
where:
Base-Base interactions energy: -636.355
where: short stacking energy: -267.709
Base-Backbone interact. energy: -2.398
local terms energy: -271.092618
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -51.169
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -65.698
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: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -848.575818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.575818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.575818 (E_RNA)
where:
Base-Base interactions energy: -588.404
where: short stacking energy: -241.188
Base-Backbone interact. energy: -0.085
local terms energy: -260.086225
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -48.449
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -65.285
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -862.196424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.196424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.196424 (E_RNA)
where:
Base-Base interactions energy: -589.159
where: short stacking energy: -251.239
Base-Backbone interact. energy: -1.392
local terms energy: -271.645267
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -62.181
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -68.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -775.850334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.850334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.850334 (E_RNA)
where:
Base-Base interactions energy: -518.120
where: short stacking energy: -230.261
Base-Backbone interact. energy: -1.335
local terms energy: -256.394802
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -67.268
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -758.753996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.753996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.753996 (E_RNA)
where:
Base-Base interactions energy: -509.082
where: short stacking energy: -230.147
Base-Backbone interact. energy: -2.115
local terms energy: -247.556832
where:
bonds (distance) C4'-P energy: -49.080
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -64.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -651.321187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.321187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.321187 (E_RNA)
where:
Base-Base interactions energy: -424.492
where: short stacking energy: -208.252
Base-Backbone interact. energy: 0.250
local terms energy: -227.079330
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -40.559
flat angles C4'-P-C4' energy: -55.120
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -52.851
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -636.992115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.992115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.992115 (E_RNA)
where:
Base-Base interactions energy: -420.995
where: short stacking energy: -192.118
Base-Backbone interact. energy: 0.799
local terms energy: -216.796040
where:
bonds (distance) C4'-P energy: -47.572
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -456.127344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.127344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.127344 (E_RNA)
where:
Base-Base interactions energy: -276.879
where: short stacking energy: -139.306
Base-Backbone interact. energy: 1.379
local terms energy: -180.627893
where:
bonds (distance) C4'-P energy: -40.276
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -48.401
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -19.520
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: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -246.070111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.070111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.070111 (E_RNA)
where:
Base-Base interactions energy: -110.820
where: short stacking energy: -71.614
Base-Backbone interact. energy: 1.111
local terms energy: -136.360779
where:
bonds (distance) C4'-P energy: -46.268
bonds (distance) P-C4' energy: -42.961
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: 5.155
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: 133
Temperature: 1.350000
Total energy: -217.217317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.217317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.217317 (E_RNA)
where:
Base-Base interactions energy: -62.348
where: short stacking energy: -63.102
Base-Backbone interact. energy: -1.725
local terms energy: -153.144001
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -51.219
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: 9.627
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -906.366811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.366811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.366811 (E_RNA)
where:
Base-Base interactions energy: -635.321
where: short stacking energy: -265.712
Base-Backbone interact. energy: -0.932
local terms energy: -270.113862
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -62.338
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -66.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -863.760748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.760748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.760748 (E_RNA)
where:
Base-Base interactions energy: -594.221
where: short stacking energy: -249.496
Base-Backbone interact. energy: -0.367
local terms energy: -269.172956
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -64.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -871.393793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.393793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.393793 (E_RNA)
where:
Base-Base interactions energy: -599.476
where: short stacking energy: -249.305
Base-Backbone interact. energy: -1.271
local terms energy: -270.647085
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -54.014
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -67.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -787.329567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.329567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.329567 (E_RNA)
where:
Base-Base interactions energy: -533.668
where: short stacking energy: -248.021
Base-Backbone interact. energy: -1.305
local terms energy: -252.357131
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -58.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -775.406828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.406828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.406828 (E_RNA)
where:
Base-Base interactions energy: -532.301
where: short stacking energy: -225.718
Base-Backbone interact. energy: 0.318
local terms energy: -243.424022
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -63.710
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: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -643.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.102304 (E_RNA)
where:
Base-Base interactions energy: -417.246
where: short stacking energy: -180.796
Base-Backbone interact. energy: -0.428
local terms energy: -225.428479
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -53.462
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -647.013320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.013320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.013320 (E_RNA)
where:
Base-Base interactions energy: -431.986
where: short stacking energy: -181.276
Base-Backbone interact. energy: -0.631
local terms energy: -214.396528
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -47.279
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -44.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -479.624390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.624390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.624390 (E_RNA)
where:
Base-Base interactions energy: -291.870
where: short stacking energy: -137.374
Base-Backbone interact. energy: -1.049
local terms energy: -186.704738
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -233.633647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.633647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.633647 (E_RNA)
where:
Base-Base interactions energy: -72.064
where: short stacking energy: -57.600
Base-Backbone interact. energy: -1.254
local terms energy: -160.316402
where:
bonds (distance) C4'-P energy: -44.309
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: 9.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -238.015268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.015268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.015268 (E_RNA)
where:
Base-Base interactions energy: -112.439
where: short stacking energy: -61.502
Base-Backbone interact. energy: -2.023
local terms energy: -123.553153
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -44.769
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: 17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -908.338914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.338914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.338914 (E_RNA)
where:
Base-Base interactions energy: -622.826
where: short stacking energy: -267.326
Base-Backbone interact. energy: -1.342
local terms energy: -284.170650
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -50.501
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -77.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -848.358019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.358019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.358019 (E_RNA)
where:
Base-Base interactions energy: -572.793
where: short stacking energy: -258.163
Base-Backbone interact. energy: 2.500
local terms energy: -278.064435
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -42.037
tors. eta vs tors. theta energy: -73.285
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -865.503950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.503950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.503950 (E_RNA)
where:
Base-Base interactions energy: -594.282
where: short stacking energy: -245.141
Base-Backbone interact. energy: -1.784
local terms energy: -269.438270
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -66.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -804.638400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.638400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.638400 (E_RNA)
where:
Base-Base interactions energy: -560.044
where: short stacking energy: -232.162
Base-Backbone interact. energy: -1.117
local terms energy: -243.477349
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -742.028586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.028586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.028586 (E_RNA)
where:
Base-Base interactions energy: -521.112
where: short stacking energy: -223.521
Base-Backbone interact. energy: -0.604
local terms energy: -220.312157
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -56.932
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -686.272489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.272489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.272489 (E_RNA)
where:
Base-Base interactions energy: -454.107
where: short stacking energy: -195.091
Base-Backbone interact. energy: -0.100
local terms energy: -232.065481
where:
bonds (distance) C4'-P energy: -59.216
bonds (distance) P-C4' energy: -41.088
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -25.741
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: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -623.167619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.167619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.167619 (E_RNA)
where:
Base-Base interactions energy: -402.151
where: short stacking energy: -178.281
Base-Backbone interact. energy: 0.585
local terms energy: -221.601833
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -45.136
flat angles C4'-P-C4' energy: -59.160
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -36.514
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: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -484.320449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.320449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.320449 (E_RNA)
where:
Base-Base interactions energy: -284.274
where: short stacking energy: -130.416
Base-Backbone interact. energy: -1.708
local terms energy: -198.339246
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -47.390
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -253.994358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.994358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.994358 (E_RNA)
where:
Base-Base interactions energy: -107.952
where: short stacking energy: -99.180
Base-Backbone interact. energy: -0.552
local terms energy: -145.490514
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -226.950746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950746 (E_RNA)
where:
Base-Base interactions energy: -77.355
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.992
local terms energy: -148.603299
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: 3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -900.652049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.652049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.652049 (E_RNA)
where:
Base-Base interactions energy: -616.009
where: short stacking energy: -257.704
Base-Backbone interact. energy: -1.332
local terms energy: -283.311435
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -56.892
flat angles C4'-P-C4' energy: -57.060
flat angles P-C4'-P energy: -44.822
tors. eta vs tors. theta energy: -73.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -852.310743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.310743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.310743 (E_RNA)
where:
Base-Base interactions energy: -587.588
where: short stacking energy: -266.136
Base-Backbone interact. energy: 0.518
local terms energy: -265.240604
where:
bonds (distance) C4'-P energy: -48.601
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -71.973
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -854.718977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.718977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.718977 (E_RNA)
where:
Base-Base interactions energy: -592.877
where: short stacking energy: -256.409
Base-Backbone interact. energy: -1.001
local terms energy: -260.841802
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -66.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -785.542171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.542171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.542171 (E_RNA)
where:
Base-Base interactions energy: -543.780
where: short stacking energy: -244.476
Base-Backbone interact. energy: -0.764
local terms energy: -240.997686
where:
bonds (distance) C4'-P energy: -53.655
bonds (distance) P-C4' energy: -40.733
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -31.818
tors. eta vs tors. theta energy: -60.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -718.947303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.947303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.947303 (E_RNA)
where:
Base-Base interactions energy: -489.814
where: short stacking energy: -217.525
Base-Backbone interact. energy: -0.316
local terms energy: -228.817456
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -43.274
flat angles P-C4'-P energy: -25.734
tors. eta vs tors. theta energy: -58.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -663.188438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.188438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.188438 (E_RNA)
where:
Base-Base interactions energy: -455.010
where: short stacking energy: -193.286
Base-Backbone interact. energy: -0.657
local terms energy: -207.521021
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -41.980
flat angles P-C4'-P energy: -25.636
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -606.008344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.008344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.008344 (E_RNA)
where:
Base-Base interactions energy: -392.635
where: short stacking energy: -171.883
Base-Backbone interact. energy: -0.612
local terms energy: -212.761071
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -54.774
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -505.086199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.086199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.086199 (E_RNA)
where:
Base-Base interactions energy: -329.534
where: short stacking energy: -145.326
Base-Backbone interact. energy: -0.922
local terms energy: -174.630719
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -24.574
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: 136
Temperature: 1.300000
Total energy: -241.569839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.569839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.569839 (E_RNA)
where:
Base-Base interactions energy: -93.725
where: short stacking energy: -93.725
Base-Backbone interact. energy: 1.325
local terms energy: -149.170313
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -19.180
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: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -234.173769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.173769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.173769 (E_RNA)
where:
Base-Base interactions energy: -91.283
where: short stacking energy: -76.635
Base-Backbone interact. energy: 0.262
local terms energy: -143.153456
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: 4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -895.484210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.484210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.484210 (E_RNA)
where:
Base-Base interactions energy: -624.389
where: short stacking energy: -271.623
Base-Backbone interact. energy: -0.353
local terms energy: -270.742250
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -62.602
flat angles P-C4'-P energy: -33.293
tors. eta vs tors. theta energy: -75.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -861.614061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.614061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.614061 (E_RNA)
where:
Base-Base interactions energy: -596.658
where: short stacking energy: -252.203
Base-Backbone interact. energy: -0.299
local terms energy: -264.657458
where:
bonds (distance) C4'-P energy: -49.178
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -65.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -853.687184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.687184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.687184 (E_RNA)
where:
Base-Base interactions energy: -594.782
where: short stacking energy: -255.318
Base-Backbone interact. energy: -0.942
local terms energy: -257.963162
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -36.409
tors. eta vs tors. theta energy: -65.942
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: 137
Temperature: 1.050000
Total energy: -802.399217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.399217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.399217 (E_RNA)
where:
Base-Base interactions energy: -553.859
where: short stacking energy: -227.131
Base-Backbone interact. energy: -0.676
local terms energy: -247.864571
where:
bonds (distance) C4'-P energy: -48.766
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -51.423
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -64.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -708.502904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.502904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.502904 (E_RNA)
where:
Base-Base interactions energy: -466.740
where: short stacking energy: -212.141
Base-Backbone interact. energy: 1.189
local terms energy: -242.951425
where:
bonds (distance) C4'-P energy: -42.368
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -65.065
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -54.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -630.590167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.590167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.590167 (E_RNA)
where:
Base-Base interactions energy: -404.412
where: short stacking energy: -189.027
Base-Backbone interact. energy: 0.414
local terms energy: -226.592037
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -42.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -606.310223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.310223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.310223 (E_RNA)
where:
Base-Base interactions energy: -389.285
where: short stacking energy: -153.908
Base-Backbone interact. energy: -2.664
local terms energy: -214.360540
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -501.235787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.235787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.235787 (E_RNA)
where:
Base-Base interactions energy: -326.484
where: short stacking energy: -160.295
Base-Backbone interact. energy: 1.147
local terms energy: -175.898922
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -37.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -252.739191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.739191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.739191 (E_RNA)
where:
Base-Base interactions energy: -98.313
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.609
local terms energy: -153.816792
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -34.155
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -240.697740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.697740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.697740 (E_RNA)
where:
Base-Base interactions energy: -96.729
where: short stacking energy: -51.721
Base-Backbone interact. energy: 0.166
local terms energy: -144.134582
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: 10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -885.724393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.724393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.724393 (E_RNA)
where:
Base-Base interactions energy: -604.476
where: short stacking energy: -255.039
Base-Backbone interact. energy: -1.707
local terms energy: -279.541788
where:
bonds (distance) C4'-P energy: -53.211
bonds (distance) P-C4' energy: -54.886
flat angles C4'-P-C4' energy: -59.580
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -70.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -884.852017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.852017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.852017 (E_RNA)
where:
Base-Base interactions energy: -614.965
where: short stacking energy: -260.546
Base-Backbone interact. energy: -0.296
local terms energy: -269.590626
where:
bonds (distance) C4'-P energy: -58.339
bonds (distance) P-C4' energy: -54.535
flat angles C4'-P-C4' energy: -57.861
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -70.672
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: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -829.025924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.025924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.025924 (E_RNA)
where:
Base-Base interactions energy: -563.943
where: short stacking energy: -228.965
Base-Backbone interact. energy: -0.285
local terms energy: -264.798515
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -55.178
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -64.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -808.218975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.218975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.218975 (E_RNA)
where:
Base-Base interactions energy: -551.294
where: short stacking energy: -246.801
Base-Backbone interact. energy: 0.722
local terms energy: -257.646530
where:
bonds (distance) C4'-P energy: -47.712
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -52.311
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -64.304
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: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -650.002769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.002769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.002769 (E_RNA)
where:
Base-Base interactions energy: -428.673
where: short stacking energy: -178.970
Base-Backbone interact. energy: -0.581
local terms energy: -220.748657
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -46.877
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -28.199
tors. eta vs tors. theta energy: -44.262
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -675.093499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.093499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.093499 (E_RNA)
where:
Base-Base interactions energy: -456.904
where: short stacking energy: -191.261
Base-Backbone interact. energy: 0.940
local terms energy: -219.129703
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -44.712
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -53.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -628.643382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.643382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.643382 (E_RNA)
where:
Base-Base interactions energy: -427.167
where: short stacking energy: -185.406
Base-Backbone interact. energy: -2.069
local terms energy: -199.407606
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -50.989
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -40.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -525.626806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.626806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.626806 (E_RNA)
where:
Base-Base interactions energy: -333.614
where: short stacking energy: -147.345
Base-Backbone interact. energy: -0.121
local terms energy: -191.891252
where:
bonds (distance) C4'-P energy: -39.250
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -42.541
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -29.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -298.595436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.595436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.595436 (E_RNA)
where:
Base-Base interactions energy: -142.842
where: short stacking energy: -88.089
Base-Backbone interact. energy: 0.291
local terms energy: -156.044553
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -45.300
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -236.969123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.969123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.969123 (E_RNA)
where:
Base-Base interactions energy: -110.457
where: short stacking energy: -81.280
Base-Backbone interact. energy: 1.194
local terms energy: -127.705728
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -40.848
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: 8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -889.480727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.480727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.480727 (E_RNA)
where:
Base-Base interactions energy: -624.022
where: short stacking energy: -248.294
Base-Backbone interact. energy: 1.980
local terms energy: -267.438590
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -66.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -883.804766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.804766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.804766 (E_RNA)
where:
Base-Base interactions energy: -593.450
where: short stacking energy: -249.667
Base-Backbone interact. energy: -0.670
local terms energy: -289.685482
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -59.379
flat angles P-C4'-P energy: -42.273
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: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -824.401860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.401860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.401860 (E_RNA)
where:
Base-Base interactions energy: -552.502
where: short stacking energy: -228.104
Base-Backbone interact. energy: -1.615
local terms energy: -270.284383
where:
bonds (distance) C4'-P energy: -54.363
bonds (distance) P-C4' energy: -55.994
flat angles C4'-P-C4' energy: -59.440
flat angles P-C4'-P energy: -39.358
tors. eta vs tors. theta energy: -61.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -827.929550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.929550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.929550 (E_RNA)
where:
Base-Base interactions energy: -573.103
where: short stacking energy: -248.264
Base-Backbone interact. energy: 1.036
local terms energy: -255.862006
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -58.672
flat angles P-C4'-P energy: -33.749
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: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -679.714778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.714778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.714778 (E_RNA)
where:
Base-Base interactions energy: -445.202
where: short stacking energy: -197.957
Base-Backbone interact. energy: -1.282
local terms energy: -233.230362
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -47.731
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -54.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -691.523997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.523997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.523997 (E_RNA)
where:
Base-Base interactions energy: -466.883
where: short stacking energy: -204.823
Base-Backbone interact. energy: -1.776
local terms energy: -222.864771
where:
bonds (distance) C4'-P energy: -44.073
bonds (distance) P-C4' energy: -48.215
flat angles C4'-P-C4' energy: -43.964
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -48.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -616.501891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.501891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.501891 (E_RNA)
where:
Base-Base interactions energy: -404.770
where: short stacking energy: -180.352
Base-Backbone interact. energy: -2.307
local terms energy: -209.425571
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -50.477
flat angles C4'-P-C4' energy: -43.612
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -42.284
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: 139
Temperature: 1.250000
Total energy: -519.499001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.499001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.499001 (E_RNA)
where:
Base-Base interactions energy: -329.168
where: short stacking energy: -142.483
Base-Backbone interact. energy: 3.575
local terms energy: -193.906050
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -41.812
flat angles C4'-P-C4' energy: -53.747
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -313.357547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.357547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.357547 (E_RNA)
where:
Base-Base interactions energy: -148.477
where: short stacking energy: -107.130
Base-Backbone interact. energy: -2.185
local terms energy: -162.695365
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -39.141
flat angles C4'-P-C4' energy: -49.427
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -19.480
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -217.496864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.496864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.496864 (E_RNA)
where:
Base-Base interactions energy: -81.356
where: short stacking energy: -80.119
Base-Backbone interact. energy: 0.909
local terms energy: -137.050108
where:
bonds (distance) C4'-P energy: -50.910
bonds (distance) P-C4' energy: -35.598
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: 6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -901.248272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.248272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.248272 (E_RNA)
where:
Base-Base interactions energy: -627.700
where: short stacking energy: -247.919
Base-Backbone interact. energy: -0.956
local terms energy: -272.592526
where:
bonds (distance) C4'-P energy: -55.558
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -70.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -873.111594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.111594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.111594 (E_RNA)
where:
Base-Base interactions energy: -622.672
where: short stacking energy: -260.964
Base-Backbone interact. energy: -1.237
local terms energy: -249.202724
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -60.751
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -61.571
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: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -811.356540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.356540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.356540 (E_RNA)
where:
Base-Base interactions energy: -544.575
where: short stacking energy: -218.771
Base-Backbone interact. energy: 1.269
local terms energy: -268.050424
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -56.938
flat angles C4'-P-C4' energy: -63.055
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -57.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -791.332440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.332440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.332440 (E_RNA)
where:
Base-Base interactions energy: -565.451
where: short stacking energy: -226.801
Base-Backbone interact. energy: -0.743
local terms energy: -225.138836
where:
bonds (distance) C4'-P energy: -45.328
bonds (distance) P-C4' energy: -48.317
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -49.214
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: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -744.179421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.179421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.179421 (E_RNA)
where:
Base-Base interactions energy: -503.755
where: short stacking energy: -226.508
Base-Backbone interact. energy: -3.149
local terms energy: -237.276129
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -52.202
flat angles C4'-P-C4' energy: -46.382
flat angles P-C4'-P energy: -35.301
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: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -685.889121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.889121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.889121 (E_RNA)
where:
Base-Base interactions energy: -455.905
where: short stacking energy: -225.014
Base-Backbone interact. energy: -0.769
local terms energy: -229.214904
where:
bonds (distance) C4'-P energy: -46.068
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -59.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -559.582336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.582336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.582336 (E_RNA)
where:
Base-Base interactions energy: -358.064
where: short stacking energy: -161.163
Base-Backbone interact. energy: -0.642
local terms energy: -200.875620
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -39.724
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -33.995
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: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -564.264545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.264545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.264545 (E_RNA)
where:
Base-Base interactions energy: -361.334
where: short stacking energy: -174.954
Base-Backbone interact. energy: -1.156
local terms energy: -201.774855
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -35.784
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -41.859
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -250.606012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.606012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.606012 (E_RNA)
where:
Base-Base interactions energy: -80.636
where: short stacking energy: -79.779
Base-Backbone interact. energy: -0.525
local terms energy: -169.445140
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -42.453
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -11.139
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: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -287.539762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.539762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.539762 (E_RNA)
where:
Base-Base interactions energy: -141.071
where: short stacking energy: -84.840
Base-Backbone interact. energy: -0.259
local terms energy: -146.209587
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -888.898000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.898000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.898000 (E_RNA)
where:
Base-Base interactions energy: -621.662
where: short stacking energy: -263.314
Base-Backbone interact. energy: -0.947
local terms energy: -266.288527
where:
bonds (distance) C4'-P energy: -48.547
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -71.388
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: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -908.882127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.882127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.882127 (E_RNA)
where:
Base-Base interactions energy: -628.874
where: short stacking energy: -273.313
Base-Backbone interact. energy: -0.367
local terms energy: -279.641254
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -60.945
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -69.561
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: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -810.598104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.598104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.598104 (E_RNA)
where:
Base-Base interactions energy: -553.370
where: short stacking energy: -233.864
Base-Backbone interact. energy: 0.311
local terms energy: -257.538454
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -49.225
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -64.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -766.639502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.639502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.639502 (E_RNA)
where:
Base-Base interactions energy: -527.128
where: short stacking energy: -213.555
Base-Backbone interact. energy: 0.822
local terms energy: -240.334165
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -53.690
flat angles C4'-P-C4' energy: -49.076
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -56.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -733.040646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.040646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.040646 (E_RNA)
where:
Base-Base interactions energy: -485.541
where: short stacking energy: -216.499
Base-Backbone interact. energy: -0.767
local terms energy: -246.732863
where:
bonds (distance) C4'-P energy: -43.795
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -56.555
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: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -645.619683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.619683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.619683 (E_RNA)
where:
Base-Base interactions energy: -413.592
where: short stacking energy: -182.811
Base-Backbone interact. energy: -0.818
local terms energy: -231.209270
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -51.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -621.277692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.277692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.277692 (E_RNA)
where:
Base-Base interactions energy: -411.286
where: short stacking energy: -172.863
Base-Backbone interact. energy: 0.226
local terms energy: -210.217844
where:
bonds (distance) C4'-P energy: -35.875
bonds (distance) P-C4' energy: -56.775
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -35.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -565.392719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.392719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.392719 (E_RNA)
where:
Base-Base interactions energy: -368.868
where: short stacking energy: -158.201
Base-Backbone interact. energy: -0.504
local terms energy: -196.019825
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -45.884
flat angles P-C4'-P energy: -34.755
tors. eta vs tors. theta energy: -39.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -278.914128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.914128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.914128 (E_RNA)
where:
Base-Base interactions energy: -138.359
where: short stacking energy: -103.902
Base-Backbone interact. energy: 3.368
local terms energy: -143.923368
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -221.438698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.438698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.438698 (E_RNA)
where:
Base-Base interactions energy: -78.441
where: short stacking energy: -70.160
Base-Backbone interact. energy: 1.156
local terms energy: -144.154117
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -48.516
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: 11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -905.720293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.720293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.720293 (E_RNA)
where:
Base-Base interactions energy: -623.424
where: short stacking energy: -271.473
Base-Backbone interact. energy: 2.455
local terms energy: -284.751489
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -76.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -886.106093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.106093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.106093 (E_RNA)
where:
Base-Base interactions energy: -623.750
where: short stacking energy: -250.030
Base-Backbone interact. energy: -1.979
local terms energy: -260.376899
where:
bonds (distance) C4'-P energy: -58.043
bonds (distance) P-C4' energy: -41.728
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -36.569
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -831.021059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.021059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.021059 (E_RNA)
where:
Base-Base interactions energy: -578.143
where: short stacking energy: -235.513
Base-Backbone interact. energy: 0.267
local terms energy: -253.144598
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -66.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -817.906203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.906203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.906203 (E_RNA)
where:
Base-Base interactions energy: -549.648
where: short stacking energy: -234.641
Base-Backbone interact. energy: -3.171
local terms energy: -265.086741
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -61.152
flat angles P-C4'-P energy: -37.820
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -715.189534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.189534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.189534 (E_RNA)
where:
Base-Base interactions energy: -484.502
where: short stacking energy: -217.002
Base-Backbone interact. energy: -1.199
local terms energy: -229.488498
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -44.127
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -59.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -654.833107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.833107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.833107 (E_RNA)
where:
Base-Base interactions energy: -423.317
where: short stacking energy: -190.861
Base-Backbone interact. energy: -0.450
local terms energy: -231.066366
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -47.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -676.566435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.566435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.566435 (E_RNA)
where:
Base-Base interactions energy: -448.581
where: short stacking energy: -192.862
Base-Backbone interact. energy: -0.179
local terms energy: -227.806688
where:
bonds (distance) C4'-P energy: -43.568
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -48.321
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -47.384
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -574.716998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.716998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.716998 (E_RNA)
where:
Base-Base interactions energy: -387.185
where: short stacking energy: -176.149
Base-Backbone interact. energy: 0.092
local terms energy: -187.623754
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -49.393
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: -33.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -263.740521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.740521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.740521 (E_RNA)
where:
Base-Base interactions energy: -92.984
where: short stacking energy: -78.410
Base-Backbone interact. energy: -1.886
local terms energy: -168.869969
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -43.326
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -240.705478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.705478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.705478 (E_RNA)
where:
Base-Base interactions energy: -88.386
where: short stacking energy: -62.377
Base-Backbone interact. energy: 1.508
local terms energy: -153.827983
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -37.738
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -911.907469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.907469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.907469 (E_RNA)
where:
Base-Base interactions energy: -625.261
where: short stacking energy: -267.018
Base-Backbone interact. energy: -2.751
local terms energy: -283.895615
where:
bonds (distance) C4'-P energy: -57.103
bonds (distance) P-C4' energy: -47.301
flat angles C4'-P-C4' energy: -63.822
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -76.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -877.370434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.370434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.370434 (E_RNA)
where:
Base-Base interactions energy: -594.463
where: short stacking energy: -254.499
Base-Backbone interact. energy: -0.430
local terms energy: -282.477149
where:
bonds (distance) C4'-P energy: -50.701
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -73.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -823.312236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.312236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.312236 (E_RNA)
where:
Base-Base interactions energy: -571.437
where: short stacking energy: -241.127
Base-Backbone interact. energy: -0.897
local terms energy: -250.978077
where:
bonds (distance) C4'-P energy: -40.750
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -53.494
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -61.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -842.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.313425 (E_RNA)
where:
Base-Base interactions energy: -599.193
where: short stacking energy: -277.925
Base-Backbone interact. energy: -0.931
local terms energy: -242.190213
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -41.230
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -77.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -749.816689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.816689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.816689 (E_RNA)
where:
Base-Base interactions energy: -506.003
where: short stacking energy: -218.846
Base-Backbone interact. energy: -2.069
local terms energy: -241.744375
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -60.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -715.456397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.456397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.456397 (E_RNA)
where:
Base-Base interactions energy: -491.140
where: short stacking energy: -214.490
Base-Backbone interact. energy: -1.166
local terms energy: -223.150513
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -49.340
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: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -595.771171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.771171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.771171 (E_RNA)
where:
Base-Base interactions energy: -381.426
where: short stacking energy: -176.085
Base-Backbone interact. energy: -1.460
local terms energy: -212.884704
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -55.342
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -44.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -598.044351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.044351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.044351 (E_RNA)
where:
Base-Base interactions energy: -382.488
where: short stacking energy: -181.988
Base-Backbone interact. energy: -0.967
local terms energy: -214.588763
where:
bonds (distance) C4'-P energy: -50.457
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -43.361
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -36.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -264.102069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.102069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.102069 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -78.714
Base-Backbone interact. energy: 0.024
local terms energy: -150.188340
where:
bonds (distance) C4'-P energy: -45.625
bonds (distance) P-C4' energy: -40.235
flat angles C4'-P-C4' energy: -35.601
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -227.609053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.609053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.609053 (E_RNA)
where:
Base-Base interactions energy: -78.435
where: short stacking energy: -58.121
Base-Backbone interact. energy: 5.229
local terms energy: -154.402240
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -54.749
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -886.874942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.874942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.874942 (E_RNA)
where:
Base-Base interactions energy: -602.878
where: short stacking energy: -240.815
Base-Backbone interact. energy: -0.973
local terms energy: -283.024365
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -54.417
flat angles C4'-P-C4' energy: -63.810
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -70.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -900.055183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.055183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.055183 (E_RNA)
where:
Base-Base interactions energy: -621.496
where: short stacking energy: -268.159
Base-Backbone interact. energy: -0.580
local terms energy: -277.979490
where:
bonds (distance) C4'-P energy: -51.381
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -60.967
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -71.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -828.935066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.935066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.935066 (E_RNA)
where:
Base-Base interactions energy: -574.844
where: short stacking energy: -235.192
Base-Backbone interact. energy: -0.823
local terms energy: -253.267421
where:
bonds (distance) C4'-P energy: -50.464
bonds (distance) P-C4' energy: -45.391
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -54.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -789.617091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.617091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.617091 (E_RNA)
where:
Base-Base interactions energy: -548.321
where: short stacking energy: -239.742
Base-Backbone interact. energy: 3.176
local terms energy: -244.472326
where:
bonds (distance) C4'-P energy: -44.497
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -51.999
flat angles P-C4'-P energy: -33.205
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: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -734.076339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.076339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.076339 (E_RNA)
where:
Base-Base interactions energy: -508.241
where: short stacking energy: -223.836
Base-Backbone interact. energy: -0.512
local terms energy: -225.324006
where:
bonds (distance) C4'-P energy: -37.268
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -59.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -726.722898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.722898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.722898 (E_RNA)
where:
Base-Base interactions energy: -501.316
where: short stacking energy: -225.956
Base-Backbone interact. energy: 3.457
local terms energy: -228.863583
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -58.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -606.774355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.774355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.774355 (E_RNA)
where:
Base-Base interactions energy: -400.224
where: short stacking energy: -184.305
Base-Backbone interact. energy: -1.071
local terms energy: -205.479513
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -44.962
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -597.160014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.160014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.160014 (E_RNA)
where:
Base-Base interactions energy: -385.440
where: short stacking energy: -177.999
Base-Backbone interact. energy: 0.499
local terms energy: -212.219393
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -261.992461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.992461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.992461 (E_RNA)
where:
Base-Base interactions energy: -86.206
where: short stacking energy: -82.573
Base-Backbone interact. energy: 1.556
local terms energy: -177.342176
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -46.541
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -277.212802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.212802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.212802 (E_RNA)
where:
Base-Base interactions energy: -144.338
where: short stacking energy: -89.944
Base-Backbone interact. energy: 0.514
local terms energy: -133.389319
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -870.927759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.927759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.927759 (E_RNA)
where:
Base-Base interactions energy: -586.718
where: short stacking energy: -239.937
Base-Backbone interact. energy: -2.467
local terms energy: -281.742239
where:
bonds (distance) C4'-P energy: -53.600
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -64.942
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -70.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -888.471823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.471823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.471823 (E_RNA)
where:
Base-Base interactions energy: -607.781
where: short stacking energy: -265.703
Base-Backbone interact. energy: -2.273
local terms energy: -278.418487
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -52.462
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -37.884
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: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -811.246896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.246896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.246896 (E_RNA)
where:
Base-Base interactions energy: -545.308
where: short stacking energy: -227.586
Base-Backbone interact. energy: -0.455
local terms energy: -265.483927
where:
bonds (distance) C4'-P energy: -58.725
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: -56.026
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: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -790.560833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.560833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.560833 (E_RNA)
where:
Base-Base interactions energy: -554.618
where: short stacking energy: -236.327
Base-Backbone interact. energy: -0.443
local terms energy: -235.499885
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -49.660
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -62.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -722.769767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.769767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.769767 (E_RNA)
where:
Base-Base interactions energy: -483.217
where: short stacking energy: -220.619
Base-Backbone interact. energy: 1.044
local terms energy: -240.596347
where:
bonds (distance) C4'-P energy: -40.813
bonds (distance) P-C4' energy: -47.128
flat angles C4'-P-C4' energy: -56.043
flat angles P-C4'-P energy: -32.567
tors. eta vs tors. theta energy: -64.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -719.159271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.159271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.159271 (E_RNA)
where:
Base-Base interactions energy: -475.004
where: short stacking energy: -215.104
Base-Backbone interact. energy: 0.547
local terms energy: -244.702732
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -54.560
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -49.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -599.114835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.114835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.114835 (E_RNA)
where:
Base-Base interactions energy: -387.062
where: short stacking energy: -174.463
Base-Backbone interact. energy: -0.326
local terms energy: -211.727253
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -595.783573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.783573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.783573 (E_RNA)
where:
Base-Base interactions energy: -378.767
where: short stacking energy: -172.526
Base-Backbone interact. energy: 2.457
local terms energy: -219.473786
where:
bonds (distance) C4'-P energy: -52.091
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -282.782429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.782429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.782429 (E_RNA)
where:
Base-Base interactions energy: -99.526
where: short stacking energy: -82.297
Base-Backbone interact. energy: 3.665
local terms energy: -186.921702
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -317.258567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.258567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.258567 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -82.997
Base-Backbone interact. energy: -0.838
local terms energy: -167.148517
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -40.256
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -885.597441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.597441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.597441 (E_RNA)
where:
Base-Base interactions energy: -619.872
where: short stacking energy: -250.566
Base-Backbone interact. energy: -2.406
local terms energy: -263.319478
where:
bonds (distance) C4'-P energy: -54.717
bonds (distance) P-C4' energy: -50.122
flat angles C4'-P-C4' energy: -55.199
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -70.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -857.614353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.614353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.614353 (E_RNA)
where:
Base-Base interactions energy: -591.660
where: short stacking energy: -263.149
Base-Backbone interact. energy: 1.860
local terms energy: -267.813888
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -68.126
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -826.312091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.312091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.312091 (E_RNA)
where:
Base-Base interactions energy: -577.059
where: short stacking energy: -248.652
Base-Backbone interact. energy: -0.647
local terms energy: -248.606664
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -67.164
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: 146
Temperature: 1.050000
Total energy: -780.870413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.870413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.870413 (E_RNA)
where:
Base-Base interactions energy: -537.328
where: short stacking energy: -210.637
Base-Backbone interact. energy: 0.414
local terms energy: -243.956267
where:
bonds (distance) C4'-P energy: -43.709
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -36.237
tors. eta vs tors. theta energy: -54.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -741.486573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.486573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.486573 (E_RNA)
where:
Base-Base interactions energy: -492.642
where: short stacking energy: -209.698
Base-Backbone interact. energy: -1.530
local terms energy: -247.314267
where:
bonds (distance) C4'-P energy: -53.173
bonds (distance) P-C4' energy: -47.209
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -54.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -667.415656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.415656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.415656 (E_RNA)
where:
Base-Base interactions energy: -448.767
where: short stacking energy: -198.494
Base-Backbone interact. energy: -0.306
local terms energy: -218.343027
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -50.825
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: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -611.015064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.015064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.015064 (E_RNA)
where:
Base-Base interactions energy: -398.269
where: short stacking energy: -191.581
Base-Backbone interact. energy: -0.940
local terms energy: -211.806052
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -41.358
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -26.151
tors. eta vs tors. theta energy: -46.591
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: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -552.017804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.017804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.017804 (E_RNA)
where:
Base-Base interactions energy: -345.824
where: short stacking energy: -141.884
Base-Backbone interact. energy: 2.979
local terms energy: -209.172566
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -345.536140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.536140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.536140 (E_RNA)
where:
Base-Base interactions energy: -173.669
where: short stacking energy: -107.847
Base-Backbone interact. energy: -0.687
local terms energy: -171.180057
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -251.830513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.830513 (E_RNA)
where:
Base-Base interactions energy: -95.137
where: short stacking energy: -57.852
Base-Backbone interact. energy: -1.208
local terms energy: -155.485635
where:
bonds (distance) C4'-P energy: -51.202
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: 12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -881.623182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.623182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.623182 (E_RNA)
where:
Base-Base interactions energy: -600.650
where: short stacking energy: -262.639
Base-Backbone interact. energy: -1.963
local terms energy: -279.009825
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -55.126
flat angles C4'-P-C4' energy: -65.841
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -68.218
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: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -847.193664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.193664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.193664 (E_RNA)
where:
Base-Base interactions energy: -581.014
where: short stacking energy: -261.599
Base-Backbone interact. energy: -0.179
local terms energy: -266.001122
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -55.902
flat angles C4'-P-C4' energy: -57.864
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -842.230296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.230296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.230296 (E_RNA)
where:
Base-Base interactions energy: -565.294
where: short stacking energy: -249.562
Base-Backbone interact. energy: -2.120
local terms energy: -274.816591
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -71.037
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: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -778.359224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.359224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.359224 (E_RNA)
where:
Base-Base interactions energy: -524.499
where: short stacking energy: -231.202
Base-Backbone interact. energy: -0.963
local terms energy: -252.897168
where:
bonds (distance) C4'-P energy: -43.996
bonds (distance) P-C4' energy: -42.131
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -70.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -758.063456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.063456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.063456 (E_RNA)
where:
Base-Base interactions energy: -517.523
where: short stacking energy: -229.786
Base-Backbone interact. energy: -2.967
local terms energy: -237.573865
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -52.042
flat angles C4'-P-C4' energy: -50.260
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: -59.158
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: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -658.503033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.503033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.503033 (E_RNA)
where:
Base-Base interactions energy: -444.587
where: short stacking energy: -190.575
Base-Backbone interact. energy: -0.163
local terms energy: -213.752643
where:
bonds (distance) C4'-P energy: -38.883
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -45.357
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: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -609.973668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.973668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.973668 (E_RNA)
where:
Base-Base interactions energy: -406.347
where: short stacking energy: -178.893
Base-Backbone interact. energy: 0.545
local terms energy: -204.171389
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -38.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -578.779037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.779037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.779037 (E_RNA)
where:
Base-Base interactions energy: -364.147
where: short stacking energy: -168.976
Base-Backbone interact. energy: -0.908
local terms energy: -213.724415
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -45.393
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -38.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -342.732910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.732910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.732910 (E_RNA)
where:
Base-Base interactions energy: -176.883
where: short stacking energy: -112.509
Base-Backbone interact. energy: 2.909
local terms energy: -168.759268
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -18.045
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -246.108394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.108394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.108394 (E_RNA)
where:
Base-Base interactions energy: -91.177
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.357
local terms energy: -154.574157
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -39.400
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -11.601
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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -897.800658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.800658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.800658 (E_RNA)
where:
Base-Base interactions energy: -618.323
where: short stacking energy: -267.326
Base-Backbone interact. energy: -0.907
local terms energy: -278.570916
where:
bonds (distance) C4'-P energy: -52.567
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -59.321
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -72.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -860.171663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.171663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.171663 (E_RNA)
where:
Base-Base interactions energy: -570.917
where: short stacking energy: -253.037
Base-Backbone interact. energy: -0.430
local terms energy: -288.824973
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -57.527
flat angles C4'-P-C4' energy: -62.388
flat angles P-C4'-P energy: -41.952
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: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -814.248983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.248983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.248983 (E_RNA)
where:
Base-Base interactions energy: -569.611
where: short stacking energy: -234.862
Base-Backbone interact. energy: -2.217
local terms energy: -242.420971
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -60.221
flat angles P-C4'-P energy: -41.492
tors. eta vs tors. theta energy: -60.415
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -781.885327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.885327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.885327 (E_RNA)
where:
Base-Base interactions energy: -536.587
where: short stacking energy: -228.845
Base-Backbone interact. energy: -0.993
local terms energy: -244.305483
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -50.292
flat angles P-C4'-P energy: -32.189
tors. eta vs tors. theta energy: -63.599
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -715.540721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.540721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.540721 (E_RNA)
where:
Base-Base interactions energy: -498.999
where: short stacking energy: -196.669
Base-Backbone interact. energy: -1.772
local terms energy: -214.769324
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -662.913695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.913695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.913695 (E_RNA)
where:
Base-Base interactions energy: -438.514
where: short stacking energy: -203.179
Base-Backbone interact. energy: -0.008
local terms energy: -224.392336
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -51.223
flat angles P-C4'-P energy: -29.699
tors. eta vs tors. theta energy: -50.281
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: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -631.282081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.282081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.282081 (E_RNA)
where:
Base-Base interactions energy: -421.707
where: short stacking energy: -192.449
Base-Backbone interact. energy: -0.997
local terms energy: -208.578219
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -45.565
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -43.708
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: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -587.966903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.966903 (E_RNA)
where:
Base-Base interactions energy: -376.273
where: short stacking energy: -187.407
Base-Backbone interact. energy: 0.395
local terms energy: -212.089708
where:
bonds (distance) C4'-P energy: -45.377
bonds (distance) P-C4' energy: -55.881
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -49.677
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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -237.445324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.445324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.445324 (E_RNA)
where:
Base-Base interactions energy: -80.000
where: short stacking energy: -67.409
Base-Backbone interact. energy: 0.700
local terms energy: -158.144698
where:
bonds (distance) C4'-P energy: -44.703
bonds (distance) P-C4' energy: -49.375
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: 9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -294.094284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.094284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.094284 (E_RNA)
where:
Base-Base interactions energy: -152.045
where: short stacking energy: -96.165
Base-Backbone interact. energy: -0.661
local terms energy: -141.388074
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -907.039823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.039823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.039823 (E_RNA)
where:
Base-Base interactions energy: -639.265
where: short stacking energy: -287.021
Base-Backbone interact. energy: 2.241
local terms energy: -270.015741
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -52.987
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -43.852
tors. eta vs tors. theta energy: -74.436
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: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -838.091041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.091041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.091041 (E_RNA)
where:
Base-Base interactions energy: -574.862
where: short stacking energy: -254.953
Base-Backbone interact. energy: 0.313
local terms energy: -263.542003
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -61.763
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -63.688
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -841.505340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.505340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.505340 (E_RNA)
where:
Base-Base interactions energy: -586.610
where: short stacking energy: -256.292
Base-Backbone interact. energy: -0.595
local terms energy: -254.300955
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -46.266
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -67.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -774.358236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.358236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.358236 (E_RNA)
where:
Base-Base interactions energy: -538.739
where: short stacking energy: -221.580
Base-Backbone interact. energy: -0.217
local terms energy: -235.402353
where:
bonds (distance) C4'-P energy: -45.652
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -56.771
flat angles P-C4'-P energy: -33.374
tors. eta vs tors. theta energy: -50.499
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: 149
Temperature: 1.100000
Total energy: -712.137678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.137678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.137678 (E_RNA)
where:
Base-Base interactions energy: -485.181
where: short stacking energy: -209.334
Base-Backbone interact. energy: -0.424
local terms energy: -226.533117
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -44.301
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -51.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -674.611688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.611688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.611688 (E_RNA)
where:
Base-Base interactions energy: -444.682
where: short stacking energy: -198.400
Base-Backbone interact. energy: -0.615
local terms energy: -229.314820
where:
bonds (distance) C4'-P energy: -39.200
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -48.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -619.505670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.505670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.505670 (E_RNA)
where:
Base-Base interactions energy: -395.752
where: short stacking energy: -177.325
Base-Backbone interact. energy: -1.282
local terms energy: -222.471623
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -583.730799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.730799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.730799 (E_RNA)
where:
Base-Base interactions energy: -380.966
where: short stacking energy: -172.849
Base-Backbone interact. energy: -1.158
local terms energy: -201.606638
where:
bonds (distance) C4'-P energy: -42.043
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -41.116
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -41.203
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: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -244.198655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.198655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.198655 (E_RNA)
where:
Base-Base interactions energy: -83.495
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.675
local terms energy: -160.028209
where:
bonds (distance) C4'-P energy: -45.257
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -297.917963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.917963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.917963 (E_RNA)
where:
Base-Base interactions energy: -147.430
where: short stacking energy: -93.915
Base-Backbone interact. energy: -0.284
local terms energy: -150.204421
where:
bonds (distance) C4'-P energy: -26.149
bonds (distance) P-C4' energy: -46.133
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -915.937355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.937355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.937355 (E_RNA)
where:
Base-Base interactions energy: -633.716
where: short stacking energy: -259.715
Base-Backbone interact. energy: -0.947
local terms energy: -281.274646
where:
bonds (distance) C4'-P energy: -54.116
bonds (distance) P-C4' energy: -57.092
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -38.890
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -854.619823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.619823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.619823 (E_RNA)
where:
Base-Base interactions energy: -584.996
where: short stacking energy: -240.924
Base-Backbone interact. energy: -1.820
local terms energy: -267.803729
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -65.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -858.414975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.414975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.414975 (E_RNA)
where:
Base-Base interactions energy: -593.168
where: short stacking energy: -261.564
Base-Backbone interact. energy: -1.628
local terms energy: -263.619573
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -44.602
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -73.455
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -788.278095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.278095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.278095 (E_RNA)
where:
Base-Base interactions energy: -540.156
where: short stacking energy: -232.488
Base-Backbone interact. energy: -0.250
local terms energy: -247.872221
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -56.720
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -63.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -742.558015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.558015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.558015 (E_RNA)
where:
Base-Base interactions energy: -496.208
where: short stacking energy: -218.969
Base-Backbone interact. energy: 0.817
local terms energy: -247.166757
where:
bonds (distance) C4'-P energy: -38.835
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -64.149
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: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -717.187466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.187466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.187466 (E_RNA)
where:
Base-Base interactions energy: -492.413
where: short stacking energy: -217.304
Base-Backbone interact. energy: 0.703
local terms energy: -225.477169
where:
bonds (distance) C4'-P energy: -44.694
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: -61.732
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: 150
Temperature: 1.200000
Total energy: -567.536239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.536239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.536239 (E_RNA)
where:
Base-Base interactions energy: -363.702
where: short stacking energy: -158.110
Base-Backbone interact. energy: -0.053
local terms energy: -203.780872
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -55.129
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -28.311
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: 150
Temperature: 1.250000
Total energy: -582.303456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.303456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.303456 (E_RNA)
where:
Base-Base interactions energy: -373.196
where: short stacking energy: -157.560
Base-Backbone interact. energy: 0.033
local terms energy: -209.140064
where:
bonds (distance) C4'-P energy: -42.832
bonds (distance) P-C4' energy: -50.290
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -34.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -339.246103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.246103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.246103 (E_RNA)
where:
Base-Base interactions energy: -173.898
where: short stacking energy: -100.761
Base-Backbone interact. energy: -1.796
local terms energy: -163.551390
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -243.984540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.984540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.984540 (E_RNA)
where:
Base-Base interactions energy: -110.672
where: short stacking energy: -86.919
Base-Backbone interact. energy: 0.247
local terms energy: -133.559470
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: 4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -920.261479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.261479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.261479 (E_RNA)
where:
Base-Base interactions energy: -649.276
where: short stacking energy: -280.880
Base-Backbone interact. energy: -0.160
local terms energy: -270.825848
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -76.943
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -862.717602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.717602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.717602 (E_RNA)
where:
Base-Base interactions energy: -604.926
where: short stacking energy: -239.209
Base-Backbone interact. energy: -0.448
local terms energy: -257.343769
where:
bonds (distance) C4'-P energy: -50.173
bonds (distance) P-C4' energy: -56.898
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -59.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -850.517450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.517450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.517450 (E_RNA)
where:
Base-Base interactions energy: -581.909
where: short stacking energy: -238.688
Base-Backbone interact. energy: -1.705
local terms energy: -266.902784
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -780.585966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.585966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.585966 (E_RNA)
where:
Base-Base interactions energy: -549.181
where: short stacking energy: -229.492
Base-Backbone interact. energy: 1.682
local terms energy: -233.087398
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -759.499778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.499778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.499778 (E_RNA)
where:
Base-Base interactions energy: -516.423
where: short stacking energy: -242.911
Base-Backbone interact. energy: -0.949
local terms energy: -242.128101
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -56.659
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -58.926
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: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -714.270125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.270125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.270125 (E_RNA)
where:
Base-Base interactions energy: -477.981
where: short stacking energy: -204.283
Base-Backbone interact. energy: -0.018
local terms energy: -236.270582
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -49.376
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -59.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -605.274467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.274467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.274467 (E_RNA)
where:
Base-Base interactions energy: -378.722
where: short stacking energy: -177.188
Base-Backbone interact. energy: 1.865
local terms energy: -228.417517
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -49.030
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -588.175257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.175257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.175257 (E_RNA)
where:
Base-Base interactions energy: -409.431
where: short stacking energy: -168.310
Base-Backbone interact. energy: -1.372
local terms energy: -177.372262
where:
bonds (distance) C4'-P energy: -41.121
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -42.122
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -315.907622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.907622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.907622 (E_RNA)
where:
Base-Base interactions energy: -164.942
where: short stacking energy: -94.311
Base-Backbone interact. energy: 1.684
local terms energy: -152.649464
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -42.127
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -254.973727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.973727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.973727 (E_RNA)
where:
Base-Base interactions energy: -116.343
where: short stacking energy: -74.731
Base-Backbone interact. energy: -0.829
local terms energy: -137.801850
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -49.267
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: 13.111
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -933.556803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.556803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.556803 (E_RNA)
where:
Base-Base interactions energy: -630.624
where: short stacking energy: -277.485
Base-Backbone interact. energy: -1.684
local terms energy: -301.248775
where:
bonds (distance) C4'-P energy: -56.181
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -46.454
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -866.940311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.940311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.940311 (E_RNA)
where:
Base-Base interactions energy: -595.869
where: short stacking energy: -255.837
Base-Backbone interact. energy: 1.479
local terms energy: -272.551120
where:
bonds (distance) C4'-P energy: -55.129
bonds (distance) P-C4' energy: -53.643
flat angles C4'-P-C4' energy: -62.868
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -67.977
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: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -855.114373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.114373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.114373 (E_RNA)
where:
Base-Base interactions energy: -573.717
where: short stacking energy: -251.546
Base-Backbone interact. energy: -1.807
local terms energy: -279.590399
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -70.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -769.682930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.682930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.682930 (E_RNA)
where:
Base-Base interactions energy: -510.977
where: short stacking energy: -224.978
Base-Backbone interact. energy: -2.606
local terms energy: -256.099587
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -58.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -748.073089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.073089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.073089 (E_RNA)
where:
Base-Base interactions energy: -502.093
where: short stacking energy: -210.971
Base-Backbone interact. energy: 0.041
local terms energy: -246.021774
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -45.461
flat angles P-C4'-P energy: -37.721
tors. eta vs tors. theta energy: -63.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -743.547224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.547224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.547224 (E_RNA)
where:
Base-Base interactions energy: -503.066
where: short stacking energy: -230.200
Base-Backbone interact. energy: -0.578
local terms energy: -239.902990
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -52.904
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -62.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -657.386136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.386136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.386136 (E_RNA)
where:
Base-Base interactions energy: -448.901
where: short stacking energy: -203.197
Base-Backbone interact. energy: -0.347
local terms energy: -208.138201
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -44.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -570.424302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.424302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.424302 (E_RNA)
where:
Base-Base interactions energy: -373.329
where: short stacking energy: -163.710
Base-Backbone interact. energy: 4.599
local terms energy: -201.693731
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -37.221
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -30.792
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: 152
Temperature: 1.300000
Total energy: -231.974403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.974403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.974403 (E_RNA)
where:
Base-Base interactions energy: -71.439
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.461
local terms energy: -160.074821
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: 0.395
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: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -287.879477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.879477 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -85.613
Base-Backbone interact. energy: -1.725
local terms energy: -149.818231
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -46.455
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -932.448227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.448227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.448227 (E_RNA)
where:
Base-Base interactions energy: -657.668
where: short stacking energy: -274.292
Base-Backbone interact. energy: -0.474
local terms energy: -274.306249
where:
bonds (distance) C4'-P energy: -50.665
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -52.724
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -77.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -829.719151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.719151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.719151 (E_RNA)
where:
Base-Base interactions energy: -571.464
where: short stacking energy: -253.977
Base-Backbone interact. energy: -2.135
local terms energy: -256.119603
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -50.271
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -44.883
tors. eta vs tors. theta energy: -69.082
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -819.793468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.793468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.793468 (E_RNA)
where:
Base-Base interactions energy: -561.556
where: short stacking energy: -243.060
Base-Backbone interact. energy: -0.815
local terms energy: -257.422927
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -54.274
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -67.168
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: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -785.842340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.842340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.842340 (E_RNA)
where:
Base-Base interactions energy: -531.421
where: short stacking energy: -228.191
Base-Backbone interact. energy: 1.024
local terms energy: -255.445054
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -43.722
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -684.696270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.696270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.696270 (E_RNA)
where:
Base-Base interactions energy: -468.404
where: short stacking energy: -218.101
Base-Backbone interact. energy: -0.991
local terms energy: -215.302244
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -33.037
tors. eta vs tors. theta energy: -49.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -733.810032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.810032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.810032 (E_RNA)
where:
Base-Base interactions energy: -488.903
where: short stacking energy: -220.635
Base-Backbone interact. energy: -1.196
local terms energy: -243.710839
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -57.218
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -58.449
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -621.213219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.213219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.213219 (E_RNA)
where:
Base-Base interactions energy: -396.959
where: short stacking energy: -175.689
Base-Backbone interact. energy: -0.497
local terms energy: -223.756990
where:
bonds (distance) C4'-P energy: -54.498
bonds (distance) P-C4' energy: -43.660
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -39.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -550.558881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.558881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.558881 (E_RNA)
where:
Base-Base interactions energy: -362.415
where: short stacking energy: -168.460
Base-Backbone interact. energy: -1.336
local terms energy: -186.807470
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -37.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -299.230942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.230942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.230942 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -85.620
Base-Backbone interact. energy: -1.076
local terms energy: -161.029873
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -45.714
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -33.654
tors. eta vs tors. theta energy: -0.211
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -215.745901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.745901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.745901 (E_RNA)
where:
Base-Base interactions energy: -86.140
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.425
local terms energy: -129.180833
where:
bonds (distance) C4'-P energy: -43.803
bonds (distance) P-C4' energy: -48.532
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: 12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -917.788454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.788454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.788454 (E_RNA)
where:
Base-Base interactions energy: -656.454
where: short stacking energy: -274.983
Base-Backbone interact. energy: -1.619
local terms energy: -259.715809
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -70.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -855.276366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.276366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.276366 (E_RNA)
where:
Base-Base interactions energy: -579.526
where: short stacking energy: -253.233
Base-Backbone interact. energy: -2.069
local terms energy: -273.680934
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -65.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -833.621769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.621769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.621769 (E_RNA)
where:
Base-Base interactions energy: -580.236
where: short stacking energy: -252.396
Base-Backbone interact. energy: 0.833
local terms energy: -254.218352
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -55.526
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -71.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -767.414413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.414413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.414413 (E_RNA)
where:
Base-Base interactions energy: -525.380
where: short stacking energy: -228.635
Base-Backbone interact. energy: 0.623
local terms energy: -242.657064
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -58.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -774.561826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.561826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.561826 (E_RNA)
where:
Base-Base interactions energy: -525.903
where: short stacking energy: -233.992
Base-Backbone interact. energy: -0.346
local terms energy: -248.312974
where:
bonds (distance) C4'-P energy: -41.676
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -51.200
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -60.768
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: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -657.155854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.155854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.155854 (E_RNA)
where:
Base-Base interactions energy: -434.188
where: short stacking energy: -193.990
Base-Backbone interact. energy: -0.715
local terms energy: -222.252663
where:
bonds (distance) C4'-P energy: -38.270
bonds (distance) P-C4' energy: -47.656
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -49.679
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: 154
Temperature: 1.200000
Total energy: -646.092138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.092138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.092138 (E_RNA)
where:
Base-Base interactions energy: -426.939
where: short stacking energy: -185.352
Base-Backbone interact. energy: -0.557
local terms energy: -218.596423
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -47.064
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -50.943
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: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -559.034190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.034190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.034190 (E_RNA)
where:
Base-Base interactions energy: -356.693
where: short stacking energy: -158.943
Base-Backbone interact. energy: -0.996
local terms energy: -201.345805
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -42.854
flat angles P-C4'-P energy: -30.915
tors. eta vs tors. theta energy: -39.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -227.146071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.146071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.146071 (E_RNA)
where:
Base-Base interactions energy: -63.855
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.777
local terms energy: -162.514481
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -52.027
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -35.915
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -274.411386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.411386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.411386 (E_RNA)
where:
Base-Base interactions energy: -119.169
where: short stacking energy: -72.607
Base-Backbone interact. energy: 0.073
local terms energy: -155.315434
where:
bonds (distance) C4'-P energy: -43.042
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -32.149
tors. eta vs tors. theta energy: 8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -922.646952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.646952 (E_RNA)
where:
Base-Base interactions energy: -643.327
where: short stacking energy: -269.307
Base-Backbone interact. energy: -0.821
local terms energy: -278.499178
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -62.025
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -67.674
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: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -869.976478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.976478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.976478 (E_RNA)
where:
Base-Base interactions energy: -592.277
where: short stacking energy: -266.814
Base-Backbone interact. energy: -0.185
local terms energy: -277.514438
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -65.545
flat angles P-C4'-P energy: -36.460
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: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -831.087691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.087691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.087691 (E_RNA)
where:
Base-Base interactions energy: -568.608
where: short stacking energy: -235.572
Base-Backbone interact. energy: 1.809
local terms energy: -264.288225
where:
bonds (distance) C4'-P energy: -55.622
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -38.187
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: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -775.871999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.871999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.871999 (E_RNA)
where:
Base-Base interactions energy: -517.336
where: short stacking energy: -220.122
Base-Backbone interact. energy: -1.156
local terms energy: -257.380831
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -49.516
flat angles C4'-P-C4' energy: -55.912
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -65.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -757.988957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.988957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.988957 (E_RNA)
where:
Base-Base interactions energy: -522.030
where: short stacking energy: -212.349
Base-Backbone interact. energy: -0.284
local terms energy: -235.674028
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -58.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -689.203806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.203806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.203806 (E_RNA)
where:
Base-Base interactions energy: -458.539
where: short stacking energy: -216.463
Base-Backbone interact. energy: -0.793
local terms energy: -229.871499
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -43.780
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -59.406
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -668.386446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.386446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.386446 (E_RNA)
where:
Base-Base interactions energy: -449.871
where: short stacking energy: -195.418
Base-Backbone interact. energy: -0.024
local terms energy: -218.491827
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -566.128523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.128523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.128523 (E_RNA)
where:
Base-Base interactions energy: -376.982
where: short stacking energy: -160.930
Base-Backbone interact. energy: -1.806
local terms energy: -187.340373
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -255.861641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.861641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.861641 (E_RNA)
where:
Base-Base interactions energy: -117.642
where: short stacking energy: -72.870
Base-Backbone interact. energy: 3.249
local terms energy: -141.468248
where:
bonds (distance) C4'-P energy: -40.673
bonds (distance) P-C4' energy: -45.693
flat angles C4'-P-C4' energy: -41.580
flat angles P-C4'-P energy: -10.913
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: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -287.267757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.267757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.267757 (E_RNA)
where:
Base-Base interactions energy: -128.319
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.899
local terms energy: -158.049916
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -879.086416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.086416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.086416 (E_RNA)
where:
Base-Base interactions energy: -605.648
where: short stacking energy: -268.841
Base-Backbone interact. energy: -1.481
local terms energy: -271.956954
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -54.939
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -42.292
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: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -887.631116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.631116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.631116 (E_RNA)
where:
Base-Base interactions energy: -625.450
where: short stacking energy: -264.352
Base-Backbone interact. energy: -1.475
local terms energy: -260.705523
where:
bonds (distance) C4'-P energy: -51.463
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -45.119
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -76.256
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -839.429810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.429810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.429810 (E_RNA)
where:
Base-Base interactions energy: -562.839
where: short stacking energy: -244.607
Base-Backbone interact. energy: -0.737
local terms energy: -275.854052
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -60.889
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -58.183
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: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -782.999575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.999575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.999575 (E_RNA)
where:
Base-Base interactions energy: -539.638
where: short stacking energy: -250.475
Base-Backbone interact. energy: -0.552
local terms energy: -242.809969
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -65.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -758.610178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.610178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.610178 (E_RNA)
where:
Base-Base interactions energy: -506.497
where: short stacking energy: -226.128
Base-Backbone interact. energy: 0.239
local terms energy: -252.351850
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -35.777
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: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -668.647601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.647601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.647601 (E_RNA)
where:
Base-Base interactions energy: -436.862
where: short stacking energy: -186.564
Base-Backbone interact. energy: 2.728
local terms energy: -234.514172
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -45.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -629.847604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.847604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.847604 (E_RNA)
where:
Base-Base interactions energy: -417.119
where: short stacking energy: -176.020
Base-Backbone interact. energy: -0.144
local terms energy: -212.585496
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -37.994
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: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -580.895804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.895804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.895804 (E_RNA)
where:
Base-Base interactions energy: -358.744
where: short stacking energy: -162.077
Base-Backbone interact. energy: -0.813
local terms energy: -221.338989
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -42.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -312.295356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.295356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.295356 (E_RNA)
where:
Base-Base interactions energy: -189.630
where: short stacking energy: -104.099
Base-Backbone interact. energy: 3.964
local terms energy: -126.628517
where:
bonds (distance) C4'-P energy: -41.931
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -230.384720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.384720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.384720 (E_RNA)
where:
Base-Base interactions energy: -85.768
where: short stacking energy: -69.319
Base-Backbone interact. energy: -1.374
local terms energy: -143.242879
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: 11.805
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: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -874.650736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.650736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.650736 (E_RNA)
where:
Base-Base interactions energy: -597.785
where: short stacking energy: -258.994
Base-Backbone interact. energy: 0.179
local terms energy: -277.044151
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -68.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -869.605172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.605172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.605172 (E_RNA)
where:
Base-Base interactions energy: -595.305
where: short stacking energy: -252.126
Base-Backbone interact. energy: -0.184
local terms energy: -274.116743
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -59.958
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -74.162
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: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -866.175504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.175504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.175504 (E_RNA)
where:
Base-Base interactions energy: -592.313
where: short stacking energy: -247.104
Base-Backbone interact. energy: -2.177
local terms energy: -271.685414
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -51.544
flat angles C4'-P-C4' energy: -60.253
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -69.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -784.463880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.463880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.463880 (E_RNA)
where:
Base-Base interactions energy: -528.904
where: short stacking energy: -235.559
Base-Backbone interact. energy: -0.206
local terms energy: -255.353683
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -56.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -766.479660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.479660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.479660 (E_RNA)
where:
Base-Base interactions energy: -518.533
where: short stacking energy: -216.143
Base-Backbone interact. energy: 0.318
local terms energy: -248.264242
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -50.002
flat angles P-C4'-P energy: -35.781
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -685.374448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.374448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.374448 (E_RNA)
where:
Base-Base interactions energy: -451.604
where: short stacking energy: -200.265
Base-Backbone interact. energy: -0.544
local terms energy: -233.226123
where:
bonds (distance) C4'-P energy: -46.565
bonds (distance) P-C4' energy: -42.464
flat angles C4'-P-C4' energy: -51.806
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -54.113
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: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -633.365018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.365018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.365018 (E_RNA)
where:
Base-Base interactions energy: -420.453
where: short stacking energy: -181.767
Base-Backbone interact. energy: -3.066
local terms energy: -209.846231
where:
bonds (distance) C4'-P energy: -47.688
bonds (distance) P-C4' energy: -45.823
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -40.776
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: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -628.151155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.151155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.151155 (E_RNA)
where:
Base-Base interactions energy: -413.175
where: short stacking energy: -188.189
Base-Backbone interact. energy: -0.849
local terms energy: -214.127076
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -54.064
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -346.614873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.614873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.614873 (E_RNA)
where:
Base-Base interactions energy: -179.830
where: short stacking energy: -109.958
Base-Backbone interact. energy: 2.580
local terms energy: -169.365573
where:
bonds (distance) C4'-P energy: -50.451
bonds (distance) P-C4' energy: -44.939
flat angles C4'-P-C4' energy: -36.082
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -6.300
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: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -218.980768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.980768 (E_RNA)
where:
Base-Base interactions energy: -78.492
where: short stacking energy: -62.296
Base-Backbone interact. energy: 2.302
local terms energy: -142.791204
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: 1.637
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -868.755977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.755977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.755977 (E_RNA)
where:
Base-Base interactions energy: -585.601
where: short stacking energy: -259.730
Base-Backbone interact. energy: 0.486
local terms energy: -283.640908
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -61.348
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -885.825897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.825897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.825897 (E_RNA)
where:
Base-Base interactions energy: -601.127
where: short stacking energy: -262.771
Base-Backbone interact. energy: -1.073
local terms energy: -283.625381
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -60.689
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -43.971
tors. eta vs tors. theta energy: -70.674
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: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -883.245842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.245842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.245842 (E_RNA)
where:
Base-Base interactions energy: -622.042
where: short stacking energy: -268.329
Base-Backbone interact. energy: -1.311
local terms energy: -259.892446
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -53.144
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -32.541
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: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -765.022179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.022179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.022179 (E_RNA)
where:
Base-Base interactions energy: -517.507
where: short stacking energy: -224.910
Base-Backbone interact. energy: -0.507
local terms energy: -247.008458
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -52.207
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -61.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -747.119469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.119469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.119469 (E_RNA)
where:
Base-Base interactions energy: -494.284
where: short stacking energy: -217.504
Base-Backbone interact. energy: -1.910
local terms energy: -250.925472
where:
bonds (distance) C4'-P energy: -55.908
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -51.588
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -54.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -681.336300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.336300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.336300 (E_RNA)
where:
Base-Base interactions energy: -448.297
where: short stacking energy: -199.535
Base-Backbone interact. energy: 0.558
local terms energy: -233.597499
where:
bonds (distance) C4'-P energy: -56.980
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -50.130
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -48.190
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: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -666.819871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.819871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.819871 (E_RNA)
where:
Base-Base interactions energy: -440.666
where: short stacking energy: -195.569
Base-Backbone interact. energy: -0.490
local terms energy: -225.663597
where:
bonds (distance) C4'-P energy: -45.620
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -55.608
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -48.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -563.802268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.802268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.802268 (E_RNA)
where:
Base-Base interactions energy: -358.486
where: short stacking energy: -145.863
Base-Backbone interact. energy: 0.870
local terms energy: -206.186402
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -53.240
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -29.639
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -361.033999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.033999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.033999 (E_RNA)
where:
Base-Base interactions energy: -183.841
where: short stacking energy: -107.438
Base-Backbone interact. energy: 1.575
local terms energy: -178.767934
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -18.471
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: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -229.611254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.611254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611254 (E_RNA)
where:
Base-Base interactions energy: -83.944
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.945
local terms energy: -144.722427
where:
bonds (distance) C4'-P energy: -38.739
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: 5.828
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: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -875.042121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.042121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.042121 (E_RNA)
where:
Base-Base interactions energy: -600.020
where: short stacking energy: -263.832
Base-Backbone interact. energy: -0.218
local terms energy: -274.804218
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -73.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -904.558371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.558371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.558371 (E_RNA)
where:
Base-Base interactions energy: -635.784
where: short stacking energy: -271.540
Base-Backbone interact. energy: -0.045
local terms energy: -268.729441
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -50.136
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -74.134
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -853.179978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.179978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.179978 (E_RNA)
where:
Base-Base interactions energy: -593.591
where: short stacking energy: -249.437
Base-Backbone interact. energy: 1.230
local terms energy: -260.818698
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -52.211
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -66.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -765.660107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.660107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.660107 (E_RNA)
where:
Base-Base interactions energy: -528.465
where: short stacking energy: -234.127
Base-Backbone interact. energy: 0.048
local terms energy: -237.243146
where:
bonds (distance) C4'-P energy: -52.845
bonds (distance) P-C4' energy: -39.396
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -753.164134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.164134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.164134 (E_RNA)
where:
Base-Base interactions energy: -513.143
where: short stacking energy: -229.563
Base-Backbone interact. energy: -0.771
local terms energy: -239.250102
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -59.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -693.207508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.207508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.207508 (E_RNA)
where:
Base-Base interactions energy: -467.914
where: short stacking energy: -202.419
Base-Backbone interact. energy: -0.648
local terms energy: -224.644945
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -48.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -676.109181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.109181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.109181 (E_RNA)
where:
Base-Base interactions energy: -448.755
where: short stacking energy: -198.540
Base-Backbone interact. energy: -1.204
local terms energy: -226.149917
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -54.412
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -47.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -582.467036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.467036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.467036 (E_RNA)
where:
Base-Base interactions energy: -375.534
where: short stacking energy: -175.190
Base-Backbone interact. energy: -0.573
local terms energy: -206.359582
where:
bonds (distance) C4'-P energy: -44.397
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -52.854
flat angles P-C4'-P energy: -27.708
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -378.767739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.767739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.767739 (E_RNA)
where:
Base-Base interactions energy: -191.267
where: short stacking energy: -96.407
Base-Backbone interact. energy: -0.773
local terms energy: -186.727930
where:
bonds (distance) C4'-P energy: -52.269
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -44.670
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -240.958625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.958625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.958625 (E_RNA)
where:
Base-Base interactions energy: -87.574
where: short stacking energy: -80.073
Base-Backbone interact. energy: 2.186
local terms energy: -155.571357
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -30.991
tors. eta vs tors. theta energy: 3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -875.381663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.381663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.381663 (E_RNA)
where:
Base-Base interactions energy: -596.766
where: short stacking energy: -266.193
Base-Backbone interact. energy: 0.366
local terms energy: -278.981600
where:
bonds (distance) C4'-P energy: -58.791
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -61.872
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: -67.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -884.803156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.803156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.803156 (E_RNA)
where:
Base-Base interactions energy: -603.930
where: short stacking energy: -260.403
Base-Backbone interact. energy: -2.123
local terms energy: -278.750926
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -58.433
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -75.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -861.628599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.628599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.628599 (E_RNA)
where:
Base-Base interactions energy: -592.063
where: short stacking energy: -233.125
Base-Backbone interact. energy: -1.621
local terms energy: -267.944339
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -61.028
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -64.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -764.629275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.629275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.629275 (E_RNA)
where:
Base-Base interactions energy: -521.541
where: short stacking energy: -218.392
Base-Backbone interact. energy: -0.418
local terms energy: -242.670372
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -45.390
flat angles C4'-P-C4' energy: -54.925
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -58.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -759.883089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.883089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.883089 (E_RNA)
where:
Base-Base interactions energy: -523.393
where: short stacking energy: -213.297
Base-Backbone interact. energy: 1.200
local terms energy: -237.689217
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -63.487
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: 160
Temperature: 1.150000
Total energy: -658.629738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.629738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.629738 (E_RNA)
where:
Base-Base interactions energy: -448.944
where: short stacking energy: -192.922
Base-Backbone interact. energy: -1.366
local terms energy: -208.319565
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -54.680
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -44.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -634.198899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.198899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.198899 (E_RNA)
where:
Base-Base interactions energy: -419.886
where: short stacking energy: -191.210
Base-Backbone interact. energy: 0.163
local terms energy: -214.475678
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -48.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -583.870464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.870464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.870464 (E_RNA)
where:
Base-Base interactions energy: -370.415
where: short stacking energy: -164.147
Base-Backbone interact. energy: 1.210
local terms energy: -214.666200
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -41.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -359.391914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.391914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.391914 (E_RNA)
where:
Base-Base interactions energy: -176.844
where: short stacking energy: -103.705
Base-Backbone interact. energy: 1.443
local terms energy: -183.990302
where:
bonds (distance) C4'-P energy: -44.110
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -48.120
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -222.286405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.286405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.286405 (E_RNA)
where:
Base-Base interactions energy: -73.218
where: short stacking energy: -57.689
Base-Backbone interact. energy: -1.125
local terms energy: -147.943095
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -43.277
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: 7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -882.541154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.541154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.541154 (E_RNA)
where:
Base-Base interactions energy: -592.919
where: short stacking energy: -263.384
Base-Backbone interact. energy: 0.134
local terms energy: -289.756235
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -58.670
flat angles P-C4'-P energy: -41.295
tors. eta vs tors. theta energy: -76.033
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: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -869.176932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.176932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.176932 (E_RNA)
where:
Base-Base interactions energy: -596.144
where: short stacking energy: -247.482
Base-Backbone interact. energy: -0.423
local terms energy: -272.609407
where:
bonds (distance) C4'-P energy: -45.605
bonds (distance) P-C4' energy: -52.070
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -73.197
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: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -868.060386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.060386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.060386 (E_RNA)
where:
Base-Base interactions energy: -595.869
where: short stacking energy: -256.112
Base-Backbone interact. energy: -2.280
local terms energy: -269.910901
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -58.053
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -35.016
tors. eta vs tors. theta energy: -70.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -784.525032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.525032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.525032 (E_RNA)
where:
Base-Base interactions energy: -525.100
where: short stacking energy: -226.890
Base-Backbone interact. energy: -1.248
local terms energy: -258.176707
where:
bonds (distance) C4'-P energy: -53.478
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -62.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -748.519500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.519500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.519500 (E_RNA)
where:
Base-Base interactions energy: -510.744
where: short stacking energy: -228.207
Base-Backbone interact. energy: -0.541
local terms energy: -237.234312
where:
bonds (distance) C4'-P energy: -47.661
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -53.837
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -52.326
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: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -698.123872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.123872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.123872 (E_RNA)
where:
Base-Base interactions energy: -469.556
where: short stacking energy: -205.533
Base-Backbone interact. energy: -1.413
local terms energy: -227.154592
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -46.037
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: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -586.080647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.080647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.080647 (E_RNA)
where:
Base-Base interactions energy: -393.031
where: short stacking energy: -166.692
Base-Backbone interact. energy: -0.446
local terms energy: -192.603024
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -51.998
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -595.689564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.689564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.689564 (E_RNA)
where:
Base-Base interactions energy: -382.396
where: short stacking energy: -162.459
Base-Backbone interact. energy: -1.208
local terms energy: -212.085777
where:
bonds (distance) C4'-P energy: -46.693
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -31.914
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: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -342.932779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.932779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.932779 (E_RNA)
where:
Base-Base interactions energy: -194.275
where: short stacking energy: -106.359
Base-Backbone interact. energy: 1.383
local terms energy: -150.040907
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -4.343
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: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -224.432337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.432337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.432337 (E_RNA)
where:
Base-Base interactions energy: -88.926
where: short stacking energy: -60.040
Base-Backbone interact. energy: 2.195
local terms energy: -137.701191
where:
bonds (distance) C4'-P energy: -49.015
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -19.660
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -886.709308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.709308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.709308 (E_RNA)
where:
Base-Base interactions energy: -615.083
where: short stacking energy: -262.331
Base-Backbone interact. energy: -1.822
local terms energy: -269.804603
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -60.541
flat angles P-C4'-P energy: -32.381
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: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -860.129563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.129563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.129563 (E_RNA)
where:
Base-Base interactions energy: -577.369
where: short stacking energy: -259.779
Base-Backbone interact. energy: 0.820
local terms energy: -283.579896
where:
bonds (distance) C4'-P energy: -54.937
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -57.623
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -78.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -872.722766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.722766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.722766 (E_RNA)
where:
Base-Base interactions energy: -600.588
where: short stacking energy: -268.306
Base-Backbone interact. energy: -1.544
local terms energy: -270.590944
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -45.200
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -74.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -769.861487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.861487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.861487 (E_RNA)
where:
Base-Base interactions energy: -500.231
where: short stacking energy: -217.926
Base-Backbone interact. energy: -0.028
local terms energy: -269.602495
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -746.542724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.542724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.542724 (E_RNA)
where:
Base-Base interactions energy: -521.294
where: short stacking energy: -216.048
Base-Backbone interact. energy: -0.018
local terms energy: -225.230223
where:
bonds (distance) C4'-P energy: -43.887
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -53.964
flat angles P-C4'-P energy: -34.654
tors. eta vs tors. theta energy: -56.276
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: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -671.649790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.649790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.649790 (E_RNA)
where:
Base-Base interactions energy: -448.741
where: short stacking energy: -198.515
Base-Backbone interact. energy: -0.094
local terms energy: -222.815003
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -51.442
flat angles C4'-P-C4' energy: -53.332
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -628.188424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.188424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.188424 (E_RNA)
where:
Base-Base interactions energy: -391.678
where: short stacking energy: -187.576
Base-Backbone interact. energy: -0.214
local terms energy: -236.296376
where:
bonds (distance) C4'-P energy: -53.070
bonds (distance) P-C4' energy: -48.338
flat angles C4'-P-C4' energy: -56.349
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -42.173
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: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -577.382433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.382433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.382433 (E_RNA)
where:
Base-Base interactions energy: -366.366
where: short stacking energy: -157.403
Base-Backbone interact. energy: -0.541
local terms energy: -210.475007
where:
bonds (distance) C4'-P energy: -43.036
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: -37.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -409.063743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.063743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.063743 (E_RNA)
where:
Base-Base interactions energy: -242.269
where: short stacking energy: -138.987
Base-Backbone interact. energy: -0.876
local terms energy: -165.918790
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -40.349
flat angles C4'-P-C4' energy: -47.896
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -244.726141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.726141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.726141 (E_RNA)
where:
Base-Base interactions energy: -77.327
where: short stacking energy: -73.928
Base-Backbone interact. energy: -0.772
local terms energy: -166.627500
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -907.885837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.885837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.885837 (E_RNA)
where:
Base-Base interactions energy: -629.821
where: short stacking energy: -268.036
Base-Backbone interact. energy: -0.330
local terms energy: -277.734926
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -68.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -873.875666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.875666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.875666 (E_RNA)
where:
Base-Base interactions energy: -596.979
where: short stacking energy: -251.706
Base-Backbone interact. energy: -1.812
local terms energy: -275.084668
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -71.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -831.442663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.442663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.442663 (E_RNA)
where:
Base-Base interactions energy: -561.325
where: short stacking energy: -255.191
Base-Backbone interact. energy: -0.750
local terms energy: -269.367323
where:
bonds (distance) C4'-P energy: -51.244
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -70.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -760.285853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.285853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.285853 (E_RNA)
where:
Base-Base interactions energy: -496.221
where: short stacking energy: -206.429
Base-Backbone interact. energy: -1.638
local terms energy: -262.426401
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: -56.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -761.186075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.186075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.186075 (E_RNA)
where:
Base-Base interactions energy: -517.656
where: short stacking energy: -222.188
Base-Backbone interact. energy: -0.375
local terms energy: -243.155455
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -59.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -668.827454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.827454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.827454 (E_RNA)
where:
Base-Base interactions energy: -442.069
where: short stacking energy: -197.517
Base-Backbone interact. energy: -0.542
local terms energy: -226.216447
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -53.145
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -581.519259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.519259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.519259 (E_RNA)
where:
Base-Base interactions energy: -378.537
where: short stacking energy: -164.725
Base-Backbone interact. energy: 2.991
local terms energy: -205.972649
where:
bonds (distance) C4'-P energy: -51.562
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -47.357
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -31.482
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -584.093069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.093069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.093069 (E_RNA)
where:
Base-Base interactions energy: -396.892
where: short stacking energy: -168.485
Base-Backbone interact. energy: -2.042
local terms energy: -185.159374
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -45.970
flat angles C4'-P-C4' energy: -56.024
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -379.950995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.950995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.950995 (E_RNA)
where:
Base-Base interactions energy: -212.457
where: short stacking energy: -87.456
Base-Backbone interact. energy: 1.140
local terms energy: -168.634134
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -43.061
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -238.271768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.271768 (E_RNA)
where:
Base-Base interactions energy: -99.486
where: short stacking energy: -77.434
Base-Backbone interact. energy: -0.840
local terms energy: -137.945824
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -903.402665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.402665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.402665 (E_RNA)
where:
Base-Base interactions energy: -620.647
where: short stacking energy: -272.936
Base-Backbone interact. energy: -0.163
local terms energy: -282.592806
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -65.460
flat angles P-C4'-P energy: -40.714
tors. eta vs tors. theta energy: -74.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -909.247613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.247613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.247613 (E_RNA)
where:
Base-Base interactions energy: -620.894
where: short stacking energy: -255.546
Base-Backbone interact. energy: -1.533
local terms energy: -286.820945
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -58.129
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -77.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -825.385738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.385738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.385738 (E_RNA)
where:
Base-Base interactions energy: -546.462
where: short stacking energy: -239.095
Base-Backbone interact. energy: -1.485
local terms energy: -277.439021
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -56.149
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -46.056
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: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -808.014150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.014150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.014150 (E_RNA)
where:
Base-Base interactions energy: -545.439
where: short stacking energy: -238.952
Base-Backbone interact. energy: -0.484
local terms energy: -262.091087
where:
bonds (distance) C4'-P energy: -50.386
bonds (distance) P-C4' energy: -48.057
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -42.241
tors. eta vs tors. theta energy: -63.186
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: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -771.561438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.561438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.561438 (E_RNA)
where:
Base-Base interactions energy: -520.026
where: short stacking energy: -234.252
Base-Backbone interact. energy: -0.092
local terms energy: -251.442719
where:
bonds (distance) C4'-P energy: -58.739
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -58.502
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -64.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -632.546432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.546432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.546432 (E_RNA)
where:
Base-Base interactions energy: -429.074
where: short stacking energy: -174.449
Base-Backbone interact. energy: -1.042
local terms energy: -202.430744
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -39.854
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: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -637.224422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.224422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.224422 (E_RNA)
where:
Base-Base interactions energy: -408.998
where: short stacking energy: -188.451
Base-Backbone interact. energy: -0.656
local terms energy: -227.570470
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -50.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -572.360095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.360095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.360095 (E_RNA)
where:
Base-Base interactions energy: -381.433
where: short stacking energy: -164.327
Base-Backbone interact. energy: -0.638
local terms energy: -190.289303
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -32.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -356.191108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.191108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.191108 (E_RNA)
where:
Base-Base interactions energy: -188.847
where: short stacking energy: -92.893
Base-Backbone interact. energy: -0.869
local terms energy: -166.475665
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -40.229
flat angles P-C4'-P energy: -21.449
tors. eta vs tors. theta energy: -15.500
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: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -262.541704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.541704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.541704 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -78.840
Base-Backbone interact. energy: -1.276
local terms energy: -146.468888
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -910.568032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.568032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.568032 (E_RNA)
where:
Base-Base interactions energy: -639.312
where: short stacking energy: -275.031
Base-Backbone interact. energy: 0.206
local terms energy: -271.462102
where:
bonds (distance) C4'-P energy: -41.273
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -64.661
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -67.653
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: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -899.241230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.241230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.241230 (E_RNA)
where:
Base-Base interactions energy: -621.459
where: short stacking energy: -271.166
Base-Backbone interact. energy: -0.285
local terms energy: -277.497074
where:
bonds (distance) C4'-P energy: -54.839
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -58.581
flat angles P-C4'-P energy: -36.546
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: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -839.305747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.305747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.305747 (E_RNA)
where:
Base-Base interactions energy: -574.320
where: short stacking energy: -240.000
Base-Backbone interact. energy: -0.911
local terms energy: -264.074308
where:
bonds (distance) C4'-P energy: -46.726
bonds (distance) P-C4' energy: -53.023
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -64.460
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: 165
Temperature: 1.050000
Total energy: -802.682264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.682264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.682264 (E_RNA)
where:
Base-Base interactions energy: -556.406
where: short stacking energy: -236.212
Base-Backbone interact. energy: -0.263
local terms energy: -246.013549
where:
bonds (distance) C4'-P energy: -45.713
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -48.907
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -770.343507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.343507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.343507 (E_RNA)
where:
Base-Base interactions energy: -524.142
where: short stacking energy: -218.886
Base-Backbone interact. energy: 3.850
local terms energy: -250.051045
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -48.950
flat angles C4'-P-C4' energy: -58.176
flat angles P-C4'-P energy: -40.322
tors. eta vs tors. theta energy: -48.966
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: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -655.474570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.474570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.474570 (E_RNA)
where:
Base-Base interactions energy: -422.926
where: short stacking energy: -196.603
Base-Backbone interact. energy: -1.211
local terms energy: -231.337696
where:
bonds (distance) C4'-P energy: -43.071
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -53.883
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -50.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -577.806214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.806214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.806214 (E_RNA)
where:
Base-Base interactions energy: -381.312
where: short stacking energy: -172.495
Base-Backbone interact. energy: -0.740
local terms energy: -195.754401
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -38.506
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -39.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -552.379298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.379298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.379298 (E_RNA)
where:
Base-Base interactions energy: -355.685
where: short stacking energy: -157.986
Base-Backbone interact. energy: 2.159
local terms energy: -198.853504
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -22.801
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -339.249284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.249284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.249284 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -86.588
Base-Backbone interact. energy: -0.746
local terms energy: -163.844417
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -40.556
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -233.208603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.208603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.208603 (E_RNA)
where:
Base-Base interactions energy: -103.624
where: short stacking energy: -72.459
Base-Backbone interact. energy: -1.182
local terms energy: -128.402796
where:
bonds (distance) C4'-P energy: -37.162
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -926.450909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.450909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.450909 (E_RNA)
where:
Base-Base interactions energy: -653.047
where: short stacking energy: -273.720
Base-Backbone interact. energy: -1.281
local terms energy: -272.122906
where:
bonds (distance) C4'-P energy: -42.794
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -72.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -886.151056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.151056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.151056 (E_RNA)
where:
Base-Base interactions energy: -626.923
where: short stacking energy: -263.914
Base-Backbone interact. energy: 3.758
local terms energy: -262.985944
where:
bonds (distance) C4'-P energy: -43.455
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -43.801
tors. eta vs tors. theta energy: -63.819
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: 166
Temperature: 1.000000
Total energy: -810.819450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.819450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.819450 (E_RNA)
where:
Base-Base interactions energy: -547.284
where: short stacking energy: -223.063
Base-Backbone interact. energy: -3.075
local terms energy: -260.460729
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -53.796
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -65.832
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: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -827.197839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.197839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.197839 (E_RNA)
where:
Base-Base interactions energy: -568.982
where: short stacking energy: -226.156
Base-Backbone interact. energy: -1.665
local terms energy: -256.550415
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -39.349
tors. eta vs tors. theta energy: -64.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -760.583219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.583219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.583219 (E_RNA)
where:
Base-Base interactions energy: -513.645
where: short stacking energy: -232.321
Base-Backbone interact. energy: -1.151
local terms energy: -245.787816
where:
bonds (distance) C4'-P energy: -48.951
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -54.164
flat angles P-C4'-P energy: -37.257
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: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -666.677841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.677841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.677841 (E_RNA)
where:
Base-Base interactions energy: -419.224
where: short stacking energy: -197.616
Base-Backbone interact. energy: 0.608
local terms energy: -248.062025
where:
bonds (distance) C4'-P energy: -45.269
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -55.776
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -52.194
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: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -645.482854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.482854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.482854 (E_RNA)
where:
Base-Base interactions energy: -424.818
where: short stacking energy: -186.197
Base-Backbone interact. energy: -0.789
local terms energy: -219.875602
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -36.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -543.654861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.654861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.654861 (E_RNA)
where:
Base-Base interactions energy: -346.293
where: short stacking energy: -177.271
Base-Backbone interact. energy: -1.333
local terms energy: -196.029428
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -373.863728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.863728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.863728 (E_RNA)
where:
Base-Base interactions energy: -203.388
where: short stacking energy: -99.961
Base-Backbone interact. energy: -0.877
local terms energy: -169.599132
where:
bonds (distance) C4'-P energy: -50.424
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -37.237
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -14.010
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: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -211.055462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.055462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.055462 (E_RNA)
where:
Base-Base interactions energy: -77.976
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.246
local terms energy: -132.833923
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: 10.149
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: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -927.324585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.324585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.324585 (E_RNA)
where:
Base-Base interactions energy: -640.056
where: short stacking energy: -259.392
Base-Backbone interact. energy: -1.154
local terms energy: -286.114274
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -60.972
flat angles C4'-P-C4' energy: -60.379
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -71.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -872.982312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.982312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.982312 (E_RNA)
where:
Base-Base interactions energy: -600.155
where: short stacking energy: -250.249
Base-Backbone interact. energy: -1.477
local terms energy: -271.350017
where:
bonds (distance) C4'-P energy: -49.925
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -36.304
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: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -803.629991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.629991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.629991 (E_RNA)
where:
Base-Base interactions energy: -552.020
where: short stacking energy: -239.109
Base-Backbone interact. energy: -0.421
local terms energy: -251.189561
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -57.939
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -62.818
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: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -816.576759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.576759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.576759 (E_RNA)
where:
Base-Base interactions energy: -547.386
where: short stacking energy: -240.506
Base-Backbone interact. energy: -0.018
local terms energy: -269.172993
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -53.282
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -752.387667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.387667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.387667 (E_RNA)
where:
Base-Base interactions energy: -502.367
where: short stacking energy: -209.524
Base-Backbone interact. energy: -0.755
local terms energy: -249.265977
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -56.628
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -691.154959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.154959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.154959 (E_RNA)
where:
Base-Base interactions energy: -457.626
where: short stacking energy: -193.644
Base-Backbone interact. energy: -1.222
local terms energy: -232.307218
where:
bonds (distance) C4'-P energy: -48.231
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -50.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -623.340646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.340646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.340646 (E_RNA)
where:
Base-Base interactions energy: -419.267
where: short stacking energy: -191.787
Base-Backbone interact. energy: -0.822
local terms energy: -203.252558
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -47.084
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -342.795760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.795760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.795760 (E_RNA)
where:
Base-Base interactions energy: -180.750
where: short stacking energy: -94.713
Base-Backbone interact. energy: -0.522
local terms energy: -161.523875
where:
bonds (distance) C4'-P energy: -52.343
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -534.063147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.063147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.063147 (E_RNA)
where:
Base-Base interactions energy: -344.226
where: short stacking energy: -154.376
Base-Backbone interact. energy: 0.514
local terms energy: -190.351320
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -45.610
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -35.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -259.428352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.428352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.428352 (E_RNA)
where:
Base-Base interactions energy: -152.203
where: short stacking energy: -100.513
Base-Backbone interact. energy: -0.927
local terms energy: -106.298387
where:
bonds (distance) C4'-P energy: -33.986
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: 2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -916.545197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.545197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.545197 (E_RNA)
where:
Base-Base interactions energy: -627.117
where: short stacking energy: -276.116
Base-Backbone interact. energy: -1.873
local terms energy: -287.555042
where:
bonds (distance) C4'-P energy: -55.783
bonds (distance) P-C4' energy: -53.846
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -74.649
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -865.986321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.986321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.986321 (E_RNA)
where:
Base-Base interactions energy: -597.595
where: short stacking energy: -258.450
Base-Backbone interact. energy: 1.980
local terms energy: -270.371163
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -46.973
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -77.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -818.994247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.994247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.994247 (E_RNA)
where:
Base-Base interactions energy: -567.749
where: short stacking energy: -240.295
Base-Backbone interact. energy: -0.652
local terms energy: -250.593124
where:
bonds (distance) C4'-P energy: -44.179
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: -61.124
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: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -796.937049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.937049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.937049 (E_RNA)
where:
Base-Base interactions energy: -550.656
where: short stacking energy: -232.815
Base-Backbone interact. energy: -1.233
local terms energy: -245.047645
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -55.395
flat angles P-C4'-P energy: -36.090
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: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -727.468291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.468291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.468291 (E_RNA)
where:
Base-Base interactions energy: -498.670
where: short stacking energy: -232.032
Base-Backbone interact. energy: -1.054
local terms energy: -227.744333
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -46.605
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -59.741
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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -652.672521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.672521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.672521 (E_RNA)
where:
Base-Base interactions energy: -420.839
where: short stacking energy: -194.958
Base-Backbone interact. energy: -0.899
local terms energy: -230.934906
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -44.033
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: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -649.040573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.040573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.040573 (E_RNA)
where:
Base-Base interactions energy: -441.817
where: short stacking energy: -189.678
Base-Backbone interact. energy: 2.720
local terms energy: -209.943767
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -48.378
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -40.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -418.744740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.744740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.744740 (E_RNA)
where:
Base-Base interactions energy: -235.130
where: short stacking energy: -119.432
Base-Backbone interact. energy: -1.276
local terms energy: -182.338303
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -527.343050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.343050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.343050 (E_RNA)
where:
Base-Base interactions energy: -333.599
where: short stacking energy: -159.356
Base-Backbone interact. energy: 2.956
local terms energy: -196.699452
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -45.984
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -34.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -269.719553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.719553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.719553 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -80.757
Base-Backbone interact. energy: 2.834
local terms energy: -135.030220
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: 1.145
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -907.796737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.796737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.796737 (E_RNA)
where:
Base-Base interactions energy: -617.127
where: short stacking energy: -262.413
Base-Backbone interact. energy: 0.513
local terms energy: -291.182234
where:
bonds (distance) C4'-P energy: -49.824
bonds (distance) P-C4' energy: -55.876
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -45.684
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -874.926937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.926937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.926937 (E_RNA)
where:
Base-Base interactions energy: -601.654
where: short stacking energy: -253.333
Base-Backbone interact. energy: -1.914
local terms energy: -271.358629
where:
bonds (distance) C4'-P energy: -52.606
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -70.061
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: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -832.325690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.325690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.325690 (E_RNA)
where:
Base-Base interactions energy: -568.140
where: short stacking energy: -231.722
Base-Backbone interact. energy: -1.093
local terms energy: -263.092731
where:
bonds (distance) C4'-P energy: -57.201
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -29.504
tors. eta vs tors. theta energy: -67.709
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: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -753.895691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.895691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.895691 (E_RNA)
where:
Base-Base interactions energy: -518.144
where: short stacking energy: -219.259
Base-Backbone interact. energy: -0.501
local terms energy: -235.251105
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -49.149
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -51.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -737.101019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.101019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.101019 (E_RNA)
where:
Base-Base interactions energy: -504.736
where: short stacking energy: -210.761
Base-Backbone interact. energy: 2.738
local terms energy: -235.103110
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -681.969541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.969541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.969541 (E_RNA)
where:
Base-Base interactions energy: -441.916
where: short stacking energy: -214.706
Base-Backbone interact. energy: -0.156
local terms energy: -239.898442
where:
bonds (distance) C4'-P energy: -48.909
bonds (distance) P-C4' energy: -44.533
flat angles C4'-P-C4' energy: -48.755
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: -63.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -636.164844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.164844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.164844 (E_RNA)
where:
Base-Base interactions energy: -431.158
where: short stacking energy: -190.057
Base-Backbone interact. energy: -1.168
local terms energy: -203.838853
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -44.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -524.132711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.132711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.132711 (E_RNA)
where:
Base-Base interactions energy: -336.049
where: short stacking energy: -159.742
Base-Backbone interact. energy: 0.730
local terms energy: -188.813359
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -41.390
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -32.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -410.655505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.655505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.655505 (E_RNA)
where:
Base-Base interactions energy: -247.574
where: short stacking energy: -121.463
Base-Backbone interact. energy: 0.649
local terms energy: -163.730120
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -263.359523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.359523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.359523 (E_RNA)
where:
Base-Base interactions energy: -131.188
where: short stacking energy: -76.675
Base-Backbone interact. energy: -1.869
local terms energy: -130.302903
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -921.698159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.698159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.698159 (E_RNA)
where:
Base-Base interactions energy: -633.114
where: short stacking energy: -269.035
Base-Backbone interact. energy: -0.699
local terms energy: -287.885142
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -56.184
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -865.545811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.545811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.545811 (E_RNA)
where:
Base-Base interactions energy: -599.961
where: short stacking energy: -257.080
Base-Backbone interact. energy: -0.817
local terms energy: -264.768006
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -63.869
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -835.619185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.619185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.619185 (E_RNA)
where:
Base-Base interactions energy: -576.429
where: short stacking energy: -246.155
Base-Backbone interact. energy: -1.227
local terms energy: -257.962512
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -52.378
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -62.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -794.240508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.240508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.240508 (E_RNA)
where:
Base-Base interactions energy: -533.016
where: short stacking energy: -234.457
Base-Backbone interact. energy: -0.859
local terms energy: -260.365789
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -45.275
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -713.361981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.361981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.361981 (E_RNA)
where:
Base-Base interactions energy: -485.369
where: short stacking energy: -213.934
Base-Backbone interact. energy: 1.218
local terms energy: -229.210911
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -55.016
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -53.347
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: 170
Temperature: 1.150000
Total energy: -661.619011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.619011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.619011 (E_RNA)
where:
Base-Base interactions energy: -431.515
where: short stacking energy: -181.709
Base-Backbone interact. energy: -1.252
local terms energy: -228.851974
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -50.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -616.740756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.740756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.740756 (E_RNA)
where:
Base-Base interactions energy: -388.171
where: short stacking energy: -176.541
Base-Backbone interact. energy: -1.195
local terms energy: -227.374596
where:
bonds (distance) C4'-P energy: -55.734
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -31.590
tors. eta vs tors. theta energy: -47.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -552.201573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.201573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.201573 (E_RNA)
where:
Base-Base interactions energy: -343.482
where: short stacking energy: -147.420
Base-Backbone interact. energy: -2.521
local terms energy: -206.198688
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -45.208
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -472.317225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.317225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.317225 (E_RNA)
where:
Base-Base interactions energy: -297.388
where: short stacking energy: -156.006
Base-Backbone interact. energy: 3.997
local terms energy: -178.925973
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -42.963
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -31.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -223.345262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.345262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.345262 (E_RNA)
where:
Base-Base interactions energy: -82.509
where: short stacking energy: -56.530
Base-Backbone interact. energy: 1.523
local terms energy: -142.358914
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -909.989890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.989890 (E_RNA)
where:
Base-Base interactions energy: -626.667
where: short stacking energy: -255.104
Base-Backbone interact. energy: -2.248
local terms energy: -281.074860
where:
bonds (distance) C4'-P energy: -54.052
bonds (distance) P-C4' energy: -50.371
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -45.478
tors. eta vs tors. theta energy: -70.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -837.225596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.225596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.225596 (E_RNA)
where:
Base-Base interactions energy: -578.414
where: short stacking energy: -250.263
Base-Backbone interact. energy: -0.652
local terms energy: -258.159543
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -41.910
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: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -827.108294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.108294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.108294 (E_RNA)
where:
Base-Base interactions energy: -568.101
where: short stacking energy: -253.081
Base-Backbone interact. energy: 0.479
local terms energy: -259.486719
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -57.184
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -65.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -783.516081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.516081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.516081 (E_RNA)
where:
Base-Base interactions energy: -521.606
where: short stacking energy: -226.110
Base-Backbone interact. energy: 2.248
local terms energy: -264.158143
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -64.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -756.399085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.399085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.399085 (E_RNA)
where:
Base-Base interactions energy: -518.859
where: short stacking energy: -238.450
Base-Backbone interact. energy: 0.268
local terms energy: -237.807721
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -56.814
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -56.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -672.527164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.527164 (E_RNA)
where:
Base-Base interactions energy: -444.573
where: short stacking energy: -210.496
Base-Backbone interact. energy: -0.977
local terms energy: -226.977557
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -48.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -594.247518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.247518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.247518 (E_RNA)
where:
Base-Base interactions energy: -380.687
where: short stacking energy: -178.939
Base-Backbone interact. energy: -0.808
local terms energy: -212.752424
where:
bonds (distance) C4'-P energy: -40.106
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -41.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -578.674733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.674733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.674733 (E_RNA)
where:
Base-Base interactions energy: -361.959
where: short stacking energy: -162.507
Base-Backbone interact. energy: -0.553
local terms energy: -216.163071
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -45.343
flat angles C4'-P-C4' energy: -49.682
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -45.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -447.691785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.691785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.691785 (E_RNA)
where:
Base-Base interactions energy: -278.284
where: short stacking energy: -121.384
Base-Backbone interact. energy: -0.802
local terms energy: -168.606573
where:
bonds (distance) C4'-P energy: -39.294
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -255.656931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.656931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.656931 (E_RNA)
where:
Base-Base interactions energy: -116.334
where: short stacking energy: -81.095
Base-Backbone interact. energy: -1.868
local terms energy: -137.454862
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: 5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -912.242667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.242667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.242667 (E_RNA)
where:
Base-Base interactions energy: -634.290
where: short stacking energy: -275.782
Base-Backbone interact. energy: -0.732
local terms energy: -277.220214
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -61.640
flat angles P-C4'-P energy: -41.813
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: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -869.259769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.259769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.259769 (E_RNA)
where:
Base-Base interactions energy: -604.619
where: short stacking energy: -270.250
Base-Backbone interact. energy: 2.474
local terms energy: -267.114791
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -57.157
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -69.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -827.010509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.010509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.010509 (E_RNA)
where:
Base-Base interactions energy: -542.073
where: short stacking energy: -235.904
Base-Backbone interact. energy: -0.147
local terms energy: -284.789989
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -74.327
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -814.008825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.008825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.008825 (E_RNA)
where:
Base-Base interactions energy: -569.489
where: short stacking energy: -230.187
Base-Backbone interact. energy: -2.008
local terms energy: -242.512275
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -59.046
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -63.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -723.334435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.334435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.334435 (E_RNA)
where:
Base-Base interactions energy: -499.867
where: short stacking energy: -217.443
Base-Backbone interact. energy: 0.510
local terms energy: -223.977660
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: -52.600
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -676.270245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.270245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.270245 (E_RNA)
where:
Base-Base interactions energy: -448.063
where: short stacking energy: -210.932
Base-Backbone interact. energy: -0.769
local terms energy: -227.438300
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -46.820
flat angles P-C4'-P energy: -29.546
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: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -613.443617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.443617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.443617 (E_RNA)
where:
Base-Base interactions energy: -402.650
where: short stacking energy: -192.241
Base-Backbone interact. energy: -0.245
local terms energy: -210.548781
where:
bonds (distance) C4'-P energy: -38.711
bonds (distance) P-C4' energy: -44.143
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -50.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -575.745433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.745433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.745433 (E_RNA)
where:
Base-Base interactions energy: -382.225
where: short stacking energy: -163.015
Base-Backbone interact. energy: -0.433
local terms energy: -193.087219
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -45.347
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -35.301
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -495.806236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.806236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.806236 (E_RNA)
where:
Base-Base interactions energy: -308.259
where: short stacking energy: -143.399
Base-Backbone interact. energy: 0.789
local terms energy: -188.335721
where:
bonds (distance) C4'-P energy: -39.691
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -31.121
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -214.413709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.413709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413709 (E_RNA)
where:
Base-Base interactions energy: -85.385
where: short stacking energy: -60.863
Base-Backbone interact. energy: 2.264
local terms energy: -131.293381
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: 9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -916.035042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.035042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.035042 (E_RNA)
where:
Base-Base interactions energy: -644.124
where: short stacking energy: -263.293
Base-Backbone interact. energy: -1.608
local terms energy: -270.303006
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -59.385
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: -73.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -840.229127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.229127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.229127 (E_RNA)
where:
Base-Base interactions energy: -573.609
where: short stacking energy: -252.811
Base-Backbone interact. energy: 1.012
local terms energy: -267.632875
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -69.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -826.447513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.447513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.447513 (E_RNA)
where:
Base-Base interactions energy: -579.369
where: short stacking energy: -242.827
Base-Backbone interact. energy: -1.691
local terms energy: -245.388000
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -48.863
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -812.060981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.060981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.060981 (E_RNA)
where:
Base-Base interactions energy: -567.047
where: short stacking energy: -227.230
Base-Backbone interact. energy: -1.472
local terms energy: -243.541798
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -49.129
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -61.377
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: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -722.805349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.805349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.805349 (E_RNA)
where:
Base-Base interactions energy: -463.923
where: short stacking energy: -210.536
Base-Backbone interact. energy: 0.558
local terms energy: -259.440404
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -56.007
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -60.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -680.064916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.064916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.064916 (E_RNA)
where:
Base-Base interactions energy: -450.593
where: short stacking energy: -194.031
Base-Backbone interact. energy: -1.733
local terms energy: -227.739440
where:
bonds (distance) C4'-P energy: -42.237
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -45.506
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: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -613.645462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.645462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.645462 (E_RNA)
where:
Base-Base interactions energy: -406.424
where: short stacking energy: -184.574
Base-Backbone interact. energy: -0.500
local terms energy: -206.720771
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -49.646
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -49.651
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -596.320075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.320075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.320075 (E_RNA)
where:
Base-Base interactions energy: -387.652
where: short stacking energy: -174.474
Base-Backbone interact. energy: -0.131
local terms energy: -208.537044
where:
bonds (distance) C4'-P energy: -43.168
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -39.319
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -49.448
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -556.966053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.966053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.966053 (E_RNA)
where:
Base-Base interactions energy: -377.176
where: short stacking energy: -171.966
Base-Backbone interact. energy: -0.819
local terms energy: -178.971231
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -47.116
flat angles C4'-P-C4' energy: -37.627
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -36.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -249.929752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.929752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.929752 (E_RNA)
where:
Base-Base interactions energy: -105.535
where: short stacking energy: -64.605
Base-Backbone interact. energy: -0.669
local terms energy: -143.726014
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: 9.599
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: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -917.715796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.715796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.715796 (E_RNA)
where:
Base-Base interactions energy: -636.037
where: short stacking energy: -285.060
Base-Backbone interact. energy: 1.618
local terms energy: -283.296977
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -76.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -848.409892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.409892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.409892 (E_RNA)
where:
Base-Base interactions energy: -574.003
where: short stacking energy: -239.838
Base-Backbone interact. energy: 2.477
local terms energy: -276.883255
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -53.968
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -44.442
tors. eta vs tors. theta energy: -60.698
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: 174
Temperature: 1.000000
Total energy: -842.501756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.501756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.501756 (E_RNA)
where:
Base-Base interactions energy: -565.048
where: short stacking energy: -244.550
Base-Backbone interact. energy: -1.913
local terms energy: -275.540083
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -56.205
flat angles C4'-P-C4' energy: -50.513
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -67.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -799.829410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.829410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.829410 (E_RNA)
where:
Base-Base interactions energy: -552.173
where: short stacking energy: -228.767
Base-Backbone interact. energy: 1.100
local terms energy: -248.756643
where:
bonds (distance) C4'-P energy: -52.775
bonds (distance) P-C4' energy: -46.589
flat angles C4'-P-C4' energy: -50.653
flat angles P-C4'-P energy: -29.968
tors. eta vs tors. theta energy: -68.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -720.025551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.025551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.025551 (E_RNA)
where:
Base-Base interactions energy: -468.092
where: short stacking energy: -219.333
Base-Backbone interact. energy: 0.499
local terms energy: -252.432310
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -60.462
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -52.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -684.233323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.233323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.233323 (E_RNA)
where:
Base-Base interactions energy: -457.867
where: short stacking energy: -203.776
Base-Backbone interact. energy: 0.033
local terms energy: -226.399858
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -45.741
flat angles C4'-P-C4' energy: -52.893
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -41.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -619.952408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.952408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.952408 (E_RNA)
where:
Base-Base interactions energy: -406.802
where: short stacking energy: -189.914
Base-Backbone interact. energy: -0.786
local terms energy: -212.365131
where:
bonds (distance) C4'-P energy: -42.924
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -40.560
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: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -597.849036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.849036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.849036 (E_RNA)
where:
Base-Base interactions energy: -394.659
where: short stacking energy: -169.432
Base-Backbone interact. energy: -0.575
local terms energy: -202.615082
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: -38.185
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: 174
Temperature: 1.300000
Total energy: -538.950987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.950987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.950987 (E_RNA)
where:
Base-Base interactions energy: -346.717
where: short stacking energy: -157.219
Base-Backbone interact. energy: -0.841
local terms energy: -191.392835
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -42.087
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -33.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -240.121691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.121691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.121691 (E_RNA)
where:
Base-Base interactions energy: -101.364
where: short stacking energy: -71.921
Base-Backbone interact. energy: 0.183
local terms energy: -138.941039
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: 0.311
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: 175
Temperature: 0.900000
Total energy: -915.132366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.132366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.132366 (E_RNA)
where:
Base-Base interactions energy: -633.266
where: short stacking energy: -282.139
Base-Backbone interact. energy: -3.314
local terms energy: -278.551758
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -75.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -867.164159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.164159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.164159 (E_RNA)
where:
Base-Base interactions energy: -600.658
where: short stacking energy: -261.126
Base-Backbone interact. energy: -0.546
local terms energy: -265.960901
where:
bonds (distance) C4'-P energy: -58.659
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -69.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -838.498922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.498922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.498922 (E_RNA)
where:
Base-Base interactions energy: -566.802
where: short stacking energy: -233.913
Base-Backbone interact. energy: -2.178
local terms energy: -269.518988
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -59.750
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -59.061
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: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -810.834872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.834872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.834872 (E_RNA)
where:
Base-Base interactions energy: -559.374
where: short stacking energy: -238.251
Base-Backbone interact. energy: -1.420
local terms energy: -250.040705
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -50.337
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -66.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -716.675607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.675607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.675607 (E_RNA)
where:
Base-Base interactions energy: -472.896
where: short stacking energy: -220.973
Base-Backbone interact. energy: -0.169
local terms energy: -243.609898
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -50.846
flat angles C4'-P-C4' energy: -56.623
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -51.129
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: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -649.901052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.901052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.901052 (E_RNA)
where:
Base-Base interactions energy: -428.257
where: short stacking energy: -199.141
Base-Backbone interact. energy: -0.124
local terms energy: -221.519771
where:
bonds (distance) C4'-P energy: -35.157
bonds (distance) P-C4' energy: -52.380
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -46.894
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -652.352902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.352902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.352902 (E_RNA)
where:
Base-Base interactions energy: -441.087
where: short stacking energy: -188.158
Base-Backbone interact. energy: -0.612
local terms energy: -210.654063
where:
bonds (distance) C4'-P energy: -41.151
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -55.457
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -50.760
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -541.803824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.803824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.803824 (E_RNA)
where:
Base-Base interactions energy: -344.570
where: short stacking energy: -155.117
Base-Backbone interact. energy: -0.940
local terms energy: -196.294162
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -555.613343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.613343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.613343 (E_RNA)
where:
Base-Base interactions energy: -361.739
where: short stacking energy: -156.885
Base-Backbone interact. energy: -1.775
local terms energy: -192.099414
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -46.069
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -28.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -254.533304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.533304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.533304 (E_RNA)
where:
Base-Base interactions energy: -92.192
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.428
local terms energy: -161.913376
where:
bonds (distance) C4'-P energy: -44.307
bonds (distance) P-C4' energy: -49.058
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -910.246367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.246367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.246367 (E_RNA)
where:
Base-Base interactions energy: -623.843
where: short stacking energy: -270.298
Base-Backbone interact. energy: -1.735
local terms energy: -284.668102
where:
bonds (distance) C4'-P energy: -53.539
bonds (distance) P-C4' energy: -57.680
flat angles C4'-P-C4' energy: -59.632
flat angles P-C4'-P energy: -38.461
tors. eta vs tors. theta energy: -75.356
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: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -853.374032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.374032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.374032 (E_RNA)
where:
Base-Base interactions energy: -573.833
where: short stacking energy: -238.409
Base-Backbone interact. energy: -0.333
local terms energy: -279.207965
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -70.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -834.637336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.637336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.637336 (E_RNA)
where:
Base-Base interactions energy: -587.096
where: short stacking energy: -248.226
Base-Backbone interact. energy: 1.200
local terms energy: -248.741720
where:
bonds (distance) C4'-P energy: -53.070
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -51.809
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -67.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -754.841026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.841026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.841026 (E_RNA)
where:
Base-Base interactions energy: -509.866
where: short stacking energy: -210.962
Base-Backbone interact. energy: 1.193
local terms energy: -246.168156
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -46.643
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -53.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -733.146055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.146055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.146055 (E_RNA)
where:
Base-Base interactions energy: -499.271
where: short stacking energy: -213.355
Base-Backbone interact. energy: -0.672
local terms energy: -233.203014
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -50.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -650.201345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.201345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.201345 (E_RNA)
where:
Base-Base interactions energy: -439.927
where: short stacking energy: -187.576
Base-Backbone interact. energy: 0.603
local terms energy: -210.877781
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -48.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -656.664180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.664180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.664180 (E_RNA)
where:
Base-Base interactions energy: -440.567
where: short stacking energy: -171.242
Base-Backbone interact. energy: 1.555
local terms energy: -217.652066
where:
bonds (distance) C4'-P energy: -44.719
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -46.760
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -44.147
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: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -549.745613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.745613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.745613 (E_RNA)
where:
Base-Base interactions energy: -349.621
where: short stacking energy: -152.202
Base-Backbone interact. energy: -0.392
local terms energy: -199.732611
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -33.203
tors. eta vs tors. theta energy: -34.193
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: 176
Temperature: 1.300000
Total energy: -588.760227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.760227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.760227 (E_RNA)
where:
Base-Base interactions energy: -364.524
where: short stacking energy: -159.732
Base-Backbone interact. energy: 0.514
local terms energy: -224.749580
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -52.647
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -40.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -250.890298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.890298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.890298 (E_RNA)
where:
Base-Base interactions energy: -81.012
where: short stacking energy: -71.185
Base-Backbone interact. energy: 0.035
local terms energy: -169.913615
where:
bonds (distance) C4'-P energy: -47.070
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -9.231
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: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -905.420236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.420236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.420236 (E_RNA)
where:
Base-Base interactions energy: -617.551
where: short stacking energy: -252.037
Base-Backbone interact. energy: 0.237
local terms energy: -288.106518
where:
bonds (distance) C4'-P energy: -55.590
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -71.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -874.085169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.085169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.085169 (E_RNA)
where:
Base-Base interactions energy: -615.979
where: short stacking energy: -256.191
Base-Backbone interact. energy: -1.004
local terms energy: -257.101503
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -54.552
flat angles C4'-P-C4' energy: -51.627
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -62.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -825.043303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.043303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.043303 (E_RNA)
where:
Base-Base interactions energy: -566.744
where: short stacking energy: -244.708
Base-Backbone interact. energy: -0.259
local terms energy: -258.039388
where:
bonds (distance) C4'-P energy: -52.408
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -51.002
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -69.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -788.869683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.869683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.869683 (E_RNA)
where:
Base-Base interactions energy: -530.749
where: short stacking energy: -226.788
Base-Backbone interact. energy: -0.373
local terms energy: -257.747996
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -45.863
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -60.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -715.197120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.197120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.197120 (E_RNA)
where:
Base-Base interactions energy: -487.007
where: short stacking energy: -208.659
Base-Backbone interact. energy: -0.242
local terms energy: -227.948711
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -52.594
flat angles P-C4'-P energy: -38.111
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: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -679.606598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.606598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.606598 (E_RNA)
where:
Base-Base interactions energy: -436.341
where: short stacking energy: -200.967
Base-Backbone interact. energy: 1.534
local terms energy: -244.799793
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -50.538
flat angles C4'-P-C4' energy: -55.552
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -56.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -644.038025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.038025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.038025 (E_RNA)
where:
Base-Base interactions energy: -412.497
where: short stacking energy: -184.827
Base-Backbone interact. energy: -0.500
local terms energy: -231.041489
where:
bonds (distance) C4'-P energy: -46.565
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -43.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -590.538384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.538384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.538384 (E_RNA)
where:
Base-Base interactions energy: -397.878
where: short stacking energy: -185.570
Base-Backbone interact. energy: -0.701
local terms energy: -191.958757
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -41.239
flat angles P-C4'-P energy: -28.488
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -527.887951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.887951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.887951 (E_RNA)
where:
Base-Base interactions energy: -341.627
where: short stacking energy: -154.785
Base-Backbone interact. energy: 0.187
local terms energy: -186.448187
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -31.325
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: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -257.105935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.105935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.105935 (E_RNA)
where:
Base-Base interactions energy: -108.075
where: short stacking energy: -76.345
Base-Backbone interact. energy: 1.283
local terms energy: -150.314251
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -922.034000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.034000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.034000 (E_RNA)
where:
Base-Base interactions energy: -623.565
where: short stacking energy: -274.378
Base-Backbone interact. energy: -1.162
local terms energy: -297.306656
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -61.866
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -74.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -863.114195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.114195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.114195 (E_RNA)
where:
Base-Base interactions energy: -596.104
where: short stacking energy: -253.298
Base-Backbone interact. energy: 1.987
local terms energy: -268.996866
where:
bonds (distance) C4'-P energy: -53.905
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -68.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -852.164165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.164165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.164165 (E_RNA)
where:
Base-Base interactions energy: -591.638
where: short stacking energy: -248.221
Base-Backbone interact. energy: -0.982
local terms energy: -259.544494
where:
bonds (distance) C4'-P energy: -53.357
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -51.624
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -69.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -759.365260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.365260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.365260 (E_RNA)
where:
Base-Base interactions energy: -504.945
where: short stacking energy: -218.505
Base-Backbone interact. energy: -0.335
local terms energy: -254.085252
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -52.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -735.990773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.990773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.990773 (E_RNA)
where:
Base-Base interactions energy: -497.506
where: short stacking energy: -230.593
Base-Backbone interact. energy: 0.143
local terms energy: -238.628022
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -53.350
flat angles P-C4'-P energy: -40.174
tors. eta vs tors. theta energy: -56.149
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: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -671.909264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.909264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.909264 (E_RNA)
where:
Base-Base interactions energy: -449.212
where: short stacking energy: -200.798
Base-Backbone interact. energy: -1.456
local terms energy: -221.241791
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -22.581
tors. eta vs tors. theta energy: -51.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -614.335772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.335772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.335772 (E_RNA)
where:
Base-Base interactions energy: -396.623
where: short stacking energy: -175.067
Base-Backbone interact. energy: -0.144
local terms energy: -217.569096
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -47.737
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -614.527775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.527775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.527775 (E_RNA)
where:
Base-Base interactions energy: -412.677
where: short stacking energy: -186.795
Base-Backbone interact. energy: 1.622
local terms energy: -203.473091
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -46.251
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -44.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -520.933626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.933626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.933626 (E_RNA)
where:
Base-Base interactions energy: -331.416
where: short stacking energy: -149.747
Base-Backbone interact. energy: 0.637
local terms energy: -190.154307
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -48.798
flat angles C4'-P-C4' energy: -50.071
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -34.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -222.104354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.104354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.104354 (E_RNA)
where:
Base-Base interactions energy: -89.046
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.057
local terms energy: -133.000793
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -44.687
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -21.328
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -916.682328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.682328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.682328 (E_RNA)
where:
Base-Base interactions energy: -641.987
where: short stacking energy: -281.261
Base-Backbone interact. energy: -1.307
local terms energy: -273.387843
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -49.232
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -44.131
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: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -847.426817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.426817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.426817 (E_RNA)
where:
Base-Base interactions energy: -583.579
where: short stacking energy: -239.615
Base-Backbone interact. energy: 1.857
local terms energy: -265.705303
where:
bonds (distance) C4'-P energy: -50.285
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -59.289
flat angles P-C4'-P energy: -36.968
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -824.578411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.578411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.578411 (E_RNA)
where:
Base-Base interactions energy: -571.041
where: short stacking energy: -246.087
Base-Backbone interact. energy: 1.098
local terms energy: -254.634791
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -58.711
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -62.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -743.467577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.467577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.467577 (E_RNA)
where:
Base-Base interactions energy: -508.676
where: short stacking energy: -231.011
Base-Backbone interact. energy: 0.246
local terms energy: -235.037743
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -50.463
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -50.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -775.766807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.766807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.766807 (E_RNA)
where:
Base-Base interactions energy: -520.044
where: short stacking energy: -233.386
Base-Backbone interact. energy: -0.647
local terms energy: -255.075133
where:
bonds (distance) C4'-P energy: -47.135
bonds (distance) P-C4' energy: -53.612
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -35.843
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: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -682.898282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.898282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.898282 (E_RNA)
where:
Base-Base interactions energy: -449.833
where: short stacking energy: -197.284
Base-Backbone interact. energy: -2.061
local terms energy: -231.003958
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -34.172
tors. eta vs tors. theta energy: -50.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -607.418273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.418273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.418273 (E_RNA)
where:
Base-Base interactions energy: -395.851
where: short stacking energy: -184.978
Base-Backbone interact. energy: -0.665
local terms energy: -210.902342
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -40.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -640.391732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.391732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.391732 (E_RNA)
where:
Base-Base interactions energy: -434.566
where: short stacking energy: -184.756
Base-Backbone interact. energy: -2.814
local terms energy: -203.012359
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -35.591
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: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -491.363990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.363990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.363990 (E_RNA)
where:
Base-Base interactions energy: -298.556
where: short stacking energy: -129.256
Base-Backbone interact. energy: 5.106
local terms energy: -197.913558
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -58.975
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -32.944
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: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -224.722826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.722826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.722826 (E_RNA)
where:
Base-Base interactions energy: -87.173
where: short stacking energy: -60.990
Base-Backbone interact. energy: 0.533
local terms energy: -138.082832
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -42.623
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: 10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -898.309906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.309906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.309906 (E_RNA)
where:
Base-Base interactions energy: -621.575
where: short stacking energy: -262.956
Base-Backbone interact. energy: -1.991
local terms energy: -274.743528
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -52.739
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -72.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -838.230126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.230126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.230126 (E_RNA)
where:
Base-Base interactions energy: -574.232
where: short stacking energy: -245.607
Base-Backbone interact. energy: -1.104
local terms energy: -262.894497
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: -63.113
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -815.856791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.856791 (E_RNA)
where:
Base-Base interactions energy: -554.484
where: short stacking energy: -240.155
Base-Backbone interact. energy: -2.130
local terms energy: -259.242247
where:
bonds (distance) C4'-P energy: -53.611
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -30.902
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: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -712.657089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.657089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.657089 (E_RNA)
where:
Base-Base interactions energy: -465.655
where: short stacking energy: -222.361
Base-Backbone interact. energy: -0.369
local terms energy: -246.632566
where:
bonds (distance) C4'-P energy: -47.962
bonds (distance) P-C4' energy: -50.384
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -59.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -764.904781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.904781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.904781 (E_RNA)
where:
Base-Base interactions energy: -516.074
where: short stacking energy: -235.175
Base-Backbone interact. energy: -0.532
local terms energy: -248.298903
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -60.660
flat angles P-C4'-P energy: -31.695
tors. eta vs tors. theta energy: -62.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -690.178533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.178533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.178533 (E_RNA)
where:
Base-Base interactions energy: -462.072
where: short stacking energy: -201.311
Base-Backbone interact. energy: 1.892
local terms energy: -229.998005
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -34.711
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -610.104726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.104726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.104726 (E_RNA)
where:
Base-Base interactions energy: -383.083
where: short stacking energy: -176.559
Base-Backbone interact. energy: -1.408
local terms energy: -225.613598
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -45.891
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -619.871199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.871199 (E_RNA)
where:
Base-Base interactions energy: -415.121
where: short stacking energy: -184.877
Base-Backbone interact. energy: 1.038
local terms energy: -205.788294
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -40.793
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -46.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -538.200448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.200448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.200448 (E_RNA)
where:
Base-Base interactions energy: -339.897
where: short stacking energy: -142.163
Base-Backbone interact. energy: 0.770
local terms energy: -199.073202
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -23.242
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: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -230.470324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.470324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.470324 (E_RNA)
where:
Base-Base interactions energy: -93.857
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.248
local terms energy: -136.365521
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -923.477583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.477583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.477583 (E_RNA)
where:
Base-Base interactions energy: -638.601
where: short stacking energy: -266.097
Base-Backbone interact. energy: -0.703
local terms energy: -284.174077
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: -75.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -846.502920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.502920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.502920 (E_RNA)
where:
Base-Base interactions energy: -556.267
where: short stacking energy: -245.305
Base-Backbone interact. energy: -0.790
local terms energy: -289.446006
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -62.444
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -69.140
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: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -844.233458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.233458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.233458 (E_RNA)
where:
Base-Base interactions energy: -582.584
where: short stacking energy: -259.707
Base-Backbone interact. energy: -3.039
local terms energy: -258.610728
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -54.404
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -766.914948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.914948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.914948 (E_RNA)
where:
Base-Base interactions energy: -515.762
where: short stacking energy: -230.600
Base-Backbone interact. energy: -0.836
local terms energy: -250.316580
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -53.539
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -67.743
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -694.818451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.818451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.818451 (E_RNA)
where:
Base-Base interactions energy: -461.311
where: short stacking energy: -192.667
Base-Backbone interact. energy: 0.152
local terms energy: -233.659957
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -692.015252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.015252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.015252 (E_RNA)
where:
Base-Base interactions energy: -460.520
where: short stacking energy: -210.419
Base-Backbone interact. energy: -1.261
local terms energy: -230.233668
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -60.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -616.193282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.193282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.193282 (E_RNA)
where:
Base-Base interactions energy: -405.397
where: short stacking energy: -172.287
Base-Backbone interact. energy: -0.258
local terms energy: -210.538767
where:
bonds (distance) C4'-P energy: -39.391
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -584.573413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.573413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.573413 (E_RNA)
where:
Base-Base interactions energy: -383.843
where: short stacking energy: -164.066
Base-Backbone interact. energy: -2.303
local terms energy: -198.427552
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -42.199
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -31.690
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: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -541.793185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.793185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.793185 (E_RNA)
where:
Base-Base interactions energy: -343.734
where: short stacking energy: -159.600
Base-Backbone interact. energy: 1.585
local terms energy: -199.643805
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -44.833
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: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -247.495057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.495057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.495057 (E_RNA)
where:
Base-Base interactions energy: -81.296
where: short stacking energy: -80.997
Base-Backbone interact. energy: -0.475
local terms energy: -165.724215
where:
bonds (distance) C4'-P energy: -44.628
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -926.442941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.442941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.442941 (E_RNA)
where:
Base-Base interactions energy: -645.138
where: short stacking energy: -262.747
Base-Backbone interact. energy: -3.190
local terms energy: -278.115477
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -51.836
flat angles C4'-P-C4' energy: -58.220
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -76.677
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: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -847.011434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.011434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.011434 (E_RNA)
where:
Base-Base interactions energy: -575.540
where: short stacking energy: -264.334
Base-Backbone interact. energy: 1.038
local terms energy: -272.509618
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -51.732
flat angles C4'-P-C4' energy: -62.102
flat angles P-C4'-P energy: -36.161
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: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -832.808172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.808172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.808172 (E_RNA)
where:
Base-Base interactions energy: -579.216
where: short stacking energy: -247.011
Base-Backbone interact. energy: -1.029
local terms energy: -252.563595
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -54.693
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -62.972
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: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -809.219767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.219767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.219767 (E_RNA)
where:
Base-Base interactions energy: -546.754
where: short stacking energy: -232.874
Base-Backbone interact. energy: -1.044
local terms energy: -261.421555
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -64.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -707.560870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.560870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.560870 (E_RNA)
where:
Base-Base interactions energy: -453.184
where: short stacking energy: -191.288
Base-Backbone interact. energy: -0.932
local terms energy: -253.445074
where:
bonds (distance) C4'-P energy: -53.841
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -56.019
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: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -668.159370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.159370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.159370 (E_RNA)
where:
Base-Base interactions energy: -436.915
where: short stacking energy: -208.685
Base-Backbone interact. energy: 1.521
local terms energy: -232.765994
where:
bonds (distance) C4'-P energy: -49.673
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -51.933
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: -53.008
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: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -622.990631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.990631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.990631 (E_RNA)
where:
Base-Base interactions energy: -410.386
where: short stacking energy: -172.128
Base-Backbone interact. energy: 0.865
local terms energy: -213.469437
where:
bonds (distance) C4'-P energy: -46.015
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -52.759
flat angles P-C4'-P energy: -38.321
tors. eta vs tors. theta energy: -30.693
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: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -586.199084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.199084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.199084 (E_RNA)
where:
Base-Base interactions energy: -397.235
where: short stacking energy: -183.838
Base-Backbone interact. energy: -1.144
local terms energy: -187.820473
where:
bonds (distance) C4'-P energy: -41.711
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -43.692
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -38.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -545.079920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.079920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.079920 (E_RNA)
where:
Base-Base interactions energy: -365.366
where: short stacking energy: -164.863
Base-Backbone interact. energy: -1.206
local terms energy: -178.507744
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -42.975
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -237.027536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.027536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.027536 (E_RNA)
where:
Base-Base interactions energy: -100.226
where: short stacking energy: -68.255
Base-Backbone interact. energy: 0.968
local terms energy: -137.769150
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -46.535
flat angles C4'-P-C4' energy: -35.298
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: 0.888
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: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -935.082105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.082105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.082105 (E_RNA)
where:
Base-Base interactions energy: -647.358
where: short stacking energy: -275.866
Base-Backbone interact. energy: -1.529
local terms energy: -286.194510
where:
bonds (distance) C4'-P energy: -46.662
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -62.609
flat angles P-C4'-P energy: -42.920
tors. eta vs tors. theta energy: -76.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -863.533924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.533924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.533924 (E_RNA)
where:
Base-Base interactions energy: -588.393
where: short stacking energy: -262.140
Base-Backbone interact. energy: -0.844
local terms energy: -274.296872
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -49.058
flat angles C4'-P-C4' energy: -64.155
flat angles P-C4'-P energy: -38.709
tors. eta vs tors. theta energy: -67.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -844.385492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.385492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.385492 (E_RNA)
where:
Base-Base interactions energy: -578.341
where: short stacking energy: -247.466
Base-Backbone interact. energy: -2.979
local terms energy: -263.065159
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -55.729
flat angles C4'-P-C4' energy: -56.862
flat angles P-C4'-P energy: -37.659
tors. eta vs tors. theta energy: -65.281
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: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -807.269708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.269708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.269708 (E_RNA)
where:
Base-Base interactions energy: -557.669
where: short stacking energy: -247.242
Base-Backbone interact. energy: -0.351
local terms energy: -249.249421
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -66.483
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: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -710.723666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.723666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.723666 (E_RNA)
where:
Base-Base interactions energy: -460.432
where: short stacking energy: -206.351
Base-Backbone interact. energy: -0.573
local terms energy: -249.718787
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -59.095
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -50.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -701.552201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.552201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.552201 (E_RNA)
where:
Base-Base interactions energy: -469.536
where: short stacking energy: -200.163
Base-Backbone interact. energy: -0.648
local terms energy: -231.368566
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -35.085
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -52.140
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: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -630.373599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.373599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.373599 (E_RNA)
where:
Base-Base interactions energy: -400.471
where: short stacking energy: -179.947
Base-Backbone interact. energy: -3.147
local terms energy: -226.755844
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -56.617
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -51.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -643.130651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.130651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.130651 (E_RNA)
where:
Base-Base interactions energy: -419.796
where: short stacking energy: -190.868
Base-Backbone interact. energy: 0.251
local terms energy: -223.584814
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -51.805
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -565.281067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.281067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.281067 (E_RNA)
where:
Base-Base interactions energy: -369.595
where: short stacking energy: -166.144
Base-Backbone interact. energy: -0.511
local terms energy: -195.174783
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -42.387
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -33.099
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: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -233.416781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.416781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.416781 (E_RNA)
where:
Base-Base interactions energy: -90.628
where: short stacking energy: -78.515
Base-Backbone interact. energy: -0.743
local terms energy: -142.045346
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -29.365
tors. eta vs tors. theta energy: 0.583
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: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -932.116374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.116374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.116374 (E_RNA)
where:
Base-Base interactions energy: -648.309
where: short stacking energy: -270.556
Base-Backbone interact. energy: 1.286
local terms energy: -285.093395
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -52.338
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -77.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -844.432027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.432027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.432027 (E_RNA)
where:
Base-Base interactions energy: -578.873
where: short stacking energy: -245.320
Base-Backbone interact. energy: -0.544
local terms energy: -265.014566
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -57.989
flat angles C4'-P-C4' energy: -61.293
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -64.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -803.470224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.470224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.470224 (E_RNA)
where:
Base-Base interactions energy: -563.986
where: short stacking energy: -226.617
Base-Backbone interact. energy: -1.743
local terms energy: -237.740583
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -46.636
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -57.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -823.984771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.984771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.984771 (E_RNA)
where:
Base-Base interactions energy: -562.270
where: short stacking energy: -249.819
Base-Backbone interact. energy: -2.774
local terms energy: -258.940558
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -63.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -714.498053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.498053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.498053 (E_RNA)
where:
Base-Base interactions energy: -483.510
where: short stacking energy: -207.046
Base-Backbone interact. energy: -0.398
local terms energy: -230.590434
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -49.162
flat angles C4'-P-C4' energy: -49.292
flat angles P-C4'-P energy: -31.616
tors. eta vs tors. theta energy: -51.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -670.658942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.658942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.658942 (E_RNA)
where:
Base-Base interactions energy: -457.522
where: short stacking energy: -195.362
Base-Backbone interact. energy: 0.652
local terms energy: -213.789263
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -43.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -639.952710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.952710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.952710 (E_RNA)
where:
Base-Base interactions energy: -420.971
where: short stacking energy: -197.708
Base-Backbone interact. energy: -2.049
local terms energy: -216.932882
where:
bonds (distance) C4'-P energy: -40.118
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: -54.606
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: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -578.997608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.997608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.997608 (E_RNA)
where:
Base-Base interactions energy: -379.676
where: short stacking energy: -160.255
Base-Backbone interact. energy: -0.606
local terms energy: -198.715188
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -44.604
flat angles P-C4'-P energy: -26.208
tors. eta vs tors. theta energy: -31.232
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: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -558.567690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.567690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.567690 (E_RNA)
where:
Base-Base interactions energy: -350.591
where: short stacking energy: -155.370
Base-Backbone interact. energy: -0.474
local terms energy: -207.502464
where:
bonds (distance) C4'-P energy: -41.745
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -45.439
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -28.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -224.438822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.438822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.438822 (E_RNA)
where:
Base-Base interactions energy: -78.797
where: short stacking energy: -77.121
Base-Backbone interact. energy: -0.251
local terms energy: -145.391042
where:
bonds (distance) C4'-P energy: -49.688
bonds (distance) P-C4' energy: -38.637
flat angles C4'-P-C4' energy: -41.388
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: 8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -931.556149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.556149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.556149 (E_RNA)
where:
Base-Base interactions energy: -645.606
where: short stacking energy: -271.150
Base-Backbone interact. energy: -0.412
local terms energy: -285.537948
where:
bonds (distance) C4'-P energy: -43.617
bonds (distance) P-C4' energy: -55.474
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -81.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -839.757880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.757880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.757880 (E_RNA)
where:
Base-Base interactions energy: -570.797
where: short stacking energy: -257.007
Base-Backbone interact. energy: -0.629
local terms energy: -268.331472
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -59.432
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -64.464
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: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -822.143756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.143756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.143756 (E_RNA)
where:
Base-Base interactions energy: -563.984
where: short stacking energy: -251.470
Base-Backbone interact. energy: 0.578
local terms energy: -258.738395
where:
bonds (distance) C4'-P energy: -42.467
bonds (distance) P-C4' energy: -53.960
flat angles C4'-P-C4' energy: -61.723
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -66.183
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: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -817.510193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.510193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.510193 (E_RNA)
where:
Base-Base interactions energy: -568.326
where: short stacking energy: -245.948
Base-Backbone interact. energy: -0.522
local terms energy: -248.662854
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -62.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -738.841388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.841388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.841388 (E_RNA)
where:
Base-Base interactions energy: -497.993
where: short stacking energy: -230.668
Base-Backbone interact. energy: -0.295
local terms energy: -240.553390
where:
bonds (distance) C4'-P energy: -45.283
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -62.199
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -670.439308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.439308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.439308 (E_RNA)
where:
Base-Base interactions energy: -458.561
where: short stacking energy: -198.633
Base-Backbone interact. energy: -2.861
local terms energy: -209.017474
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -53.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -664.222881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.222881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.222881 (E_RNA)
where:
Base-Base interactions energy: -445.948
where: short stacking energy: -191.087
Base-Backbone interact. energy: -0.672
local terms energy: -217.602074
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -44.499
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -638.095377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.095377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.095377 (E_RNA)
where:
Base-Base interactions energy: -392.789
where: short stacking energy: -185.637
Base-Backbone interact. energy: -0.499
local terms energy: -244.807227
where:
bonds (distance) C4'-P energy: -54.405
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -53.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -501.418086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.418086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.418086 (E_RNA)
where:
Base-Base interactions energy: -322.333
where: short stacking energy: -146.947
Base-Backbone interact. energy: 2.450
local terms energy: -181.534890
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -47.743
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -242.960905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.960905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.960905 (E_RNA)
where:
Base-Base interactions energy: -95.941
where: short stacking energy: -57.944
Base-Backbone interact. energy: -1.025
local terms energy: -145.994994
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -58.724
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -950.121244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.121244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.121244 (E_RNA)
where:
Base-Base interactions energy: -660.332
where: short stacking energy: -274.401
Base-Backbone interact. energy: -0.251
local terms energy: -289.538390
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -76.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -854.911340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.911340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.911340 (E_RNA)
where:
Base-Base interactions energy: -580.973
where: short stacking energy: -246.401
Base-Backbone interact. energy: -0.241
local terms energy: -273.697715
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -70.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -838.114089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.114089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.114089 (E_RNA)
where:
Base-Base interactions energy: -560.806
where: short stacking energy: -246.433
Base-Backbone interact. energy: -0.533
local terms energy: -276.775310
where:
bonds (distance) C4'-P energy: -53.615
bonds (distance) P-C4' energy: -52.546
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -72.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -799.125496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.125496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.125496 (E_RNA)
where:
Base-Base interactions energy: -547.566
where: short stacking energy: -227.007
Base-Backbone interact. energy: 2.284
local terms energy: -253.842664
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -37.966
tors. eta vs tors. theta energy: -58.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -724.724237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.724237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.724237 (E_RNA)
where:
Base-Base interactions energy: -467.082
where: short stacking energy: -219.921
Base-Backbone interact. energy: 0.249
local terms energy: -257.891206
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -48.881
flat angles C4'-P-C4' energy: -53.840
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: -67.279
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -694.494527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.494527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.494527 (E_RNA)
where:
Base-Base interactions energy: -458.621
where: short stacking energy: -192.428
Base-Backbone interact. energy: -0.982
local terms energy: -234.890972
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -53.606
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -53.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -631.406154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.406154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.406154 (E_RNA)
where:
Base-Base interactions energy: -429.771
where: short stacking energy: -179.671
Base-Backbone interact. energy: 2.884
local terms energy: -204.519264
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -49.398
flat angles C4'-P-C4' energy: -51.238
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: -31.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -568.025376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.025376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.025376 (E_RNA)
where:
Base-Base interactions energy: -343.608
where: short stacking energy: -151.965
Base-Backbone interact. energy: -1.449
local terms energy: -222.968696
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -33.065
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: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -425.633914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.633914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.633914 (E_RNA)
where:
Base-Base interactions energy: -255.185
where: short stacking energy: -124.419
Base-Backbone interact. energy: -1.028
local terms energy: -169.420708
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -281.519170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.519170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.519170 (E_RNA)
where:
Base-Base interactions energy: -139.959
where: short stacking energy: -67.045
Base-Backbone interact. energy: -0.827
local terms energy: -140.733545
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -33.297
flat angles P-C4'-P energy: -30.278
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -926.457568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.457568 (E_RNA)
where:
Base-Base interactions energy: -641.633
where: short stacking energy: -271.011
Base-Backbone interact. energy: 3.049
local terms energy: -287.872972
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -79.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -834.960025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.960025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.960025 (E_RNA)
where:
Base-Base interactions energy: -576.717
where: short stacking energy: -240.156
Base-Backbone interact. energy: -0.624
local terms energy: -257.619338
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -824.454438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.454438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.454438 (E_RNA)
where:
Base-Base interactions energy: -586.843
where: short stacking energy: -262.171
Base-Backbone interact. energy: -0.416
local terms energy: -237.194938
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -46.333
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -64.979
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: 187
Temperature: 1.050000
Total energy: -784.893181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.893181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.893181 (E_RNA)
where:
Base-Base interactions energy: -540.259
where: short stacking energy: -221.283
Base-Backbone interact. energy: -2.561
local terms energy: -242.073499
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -37.454
tors. eta vs tors. theta energy: -48.818
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -742.837674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.837674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.837674 (E_RNA)
where:
Base-Base interactions energy: -513.854
where: short stacking energy: -231.683
Base-Backbone interact. energy: -0.703
local terms energy: -228.280580
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -41.782
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -50.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -697.113525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.113525 (E_RNA)
where:
Base-Base interactions energy: -472.140
where: short stacking energy: -213.492
Base-Backbone interact. energy: -0.993
local terms energy: -223.981116
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -47.001
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: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -586.742497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.742497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.742497 (E_RNA)
where:
Base-Base interactions energy: -364.168
where: short stacking energy: -159.940
Base-Backbone interact. energy: -1.016
local terms energy: -221.559330
where:
bonds (distance) C4'-P energy: -46.289
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -31.489
tors. eta vs tors. theta energy: -42.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -587.008215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.008215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.008215 (E_RNA)
where:
Base-Base interactions energy: -385.222
where: short stacking energy: -160.061
Base-Backbone interact. energy: -0.247
local terms energy: -201.539141
where:
bonds (distance) C4'-P energy: -42.384
bonds (distance) P-C4' energy: -43.112
flat angles C4'-P-C4' energy: -50.226
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -32.870
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: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -421.174674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.174674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.174674 (E_RNA)
where:
Base-Base interactions energy: -247.528
where: short stacking energy: -125.758
Base-Backbone interact. energy: -0.919
local terms energy: -172.728209
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -334.410018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.410018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.410018 (E_RNA)
where:
Base-Base interactions energy: -168.804
where: short stacking energy: -96.468
Base-Backbone interact. energy: -1.077
local terms energy: -164.528518
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -4.567
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: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -915.593592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.593592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.593592 (E_RNA)
where:
Base-Base interactions energy: -622.784
where: short stacking energy: -270.964
Base-Backbone interact. energy: 0.148
local terms energy: -292.957585
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -77.797
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: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -837.846030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.846030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.846030 (E_RNA)
where:
Base-Base interactions energy: -563.380
where: short stacking energy: -241.362
Base-Backbone interact. energy: -0.480
local terms energy: -273.986368
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -68.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -823.665212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.665212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.665212 (E_RNA)
where:
Base-Base interactions energy: -574.623
where: short stacking energy: -251.522
Base-Backbone interact. energy: 1.993
local terms energy: -251.034609
where:
bonds (distance) C4'-P energy: -47.870
bonds (distance) P-C4' energy: -51.976
flat angles C4'-P-C4' energy: -52.741
flat angles P-C4'-P energy: -37.015
tors. eta vs tors. theta energy: -61.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -768.577781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.577781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.577781 (E_RNA)
where:
Base-Base interactions energy: -515.195
where: short stacking energy: -237.165
Base-Backbone interact. energy: 0.471
local terms energy: -253.854151
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -51.919
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -61.810
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: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -730.710120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.710120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.710120 (E_RNA)
where:
Base-Base interactions energy: -490.440
where: short stacking energy: -221.714
Base-Backbone interact. energy: -1.127
local terms energy: -239.143016
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -53.803
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -61.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -675.632987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.632987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.632987 (E_RNA)
where:
Base-Base interactions energy: -445.929
where: short stacking energy: -189.644
Base-Backbone interact. energy: 0.315
local terms energy: -230.019684
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -50.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -585.943522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.943522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.943522 (E_RNA)
where:
Base-Base interactions energy: -371.355
where: short stacking energy: -178.884
Base-Backbone interact. energy: 1.199
local terms energy: -215.787279
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -57.898
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -37.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -579.435720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.435720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.435720 (E_RNA)
where:
Base-Base interactions energy: -365.620
where: short stacking energy: -171.702
Base-Backbone interact. energy: 0.830
local terms energy: -214.645892
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -39.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -440.327541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.327541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.327541 (E_RNA)
where:
Base-Base interactions energy: -253.096
where: short stacking energy: -118.393
Base-Backbone interact. energy: -1.334
local terms energy: -185.897738
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -39.620
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -21.758
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -271.596911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.596911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.596911 (E_RNA)
where:
Base-Base interactions energy: -123.581
where: short stacking energy: -76.856
Base-Backbone interact. energy: -1.871
local terms energy: -146.144870
where:
bonds (distance) C4'-P energy: -43.642
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -931.236470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.236470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.236470 (E_RNA)
where:
Base-Base interactions energy: -641.930
where: short stacking energy: -270.151
Base-Backbone interact. energy: -2.156
local terms energy: -287.150539
where:
bonds (distance) C4'-P energy: -57.349
bonds (distance) P-C4' energy: -58.146
flat angles C4'-P-C4' energy: -57.023
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -71.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -832.121389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.121389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.121389 (E_RNA)
where:
Base-Base interactions energy: -590.272
where: short stacking energy: -249.687
Base-Backbone interact. energy: -0.560
local terms energy: -241.289137
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -46.741
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -57.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -810.143663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.143663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.143663 (E_RNA)
where:
Base-Base interactions energy: -550.017
where: short stacking energy: -228.685
Base-Backbone interact. energy: 0.597
local terms energy: -260.724488
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -52.386
flat angles C4'-P-C4' energy: -57.654
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -62.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -802.295794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.295794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.295794 (E_RNA)
where:
Base-Base interactions energy: -536.365
where: short stacking energy: -235.929
Base-Backbone interact. energy: -2.055
local terms energy: -263.875764
where:
bonds (distance) C4'-P energy: -44.206
bonds (distance) P-C4' energy: -54.027
flat angles C4'-P-C4' energy: -65.010
flat angles P-C4'-P energy: -41.046
tors. eta vs tors. theta energy: -59.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -786.631195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.631195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.631195 (E_RNA)
where:
Base-Base interactions energy: -552.263
where: short stacking energy: -249.634
Base-Backbone interact. energy: -0.533
local terms energy: -233.836038
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -45.131
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -64.032
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: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -676.448812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.448812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.448812 (E_RNA)
where:
Base-Base interactions energy: -439.935
where: short stacking energy: -199.579
Base-Backbone interact. energy: 1.921
local terms energy: -238.434611
where:
bonds (distance) C4'-P energy: -51.247
bonds (distance) P-C4' energy: -54.629
flat angles C4'-P-C4' energy: -48.043
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -49.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -587.534016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.534016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.534016 (E_RNA)
where:
Base-Base interactions energy: -377.827
where: short stacking energy: -170.473
Base-Backbone interact. energy: -0.609
local terms energy: -209.097594
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -31.996
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -564.388510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.388510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.388510 (E_RNA)
where:
Base-Base interactions energy: -359.205
where: short stacking energy: -145.391
Base-Backbone interact. energy: -1.134
local terms energy: -204.050281
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -45.092
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -30.630
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: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -415.493244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.493244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.493244 (E_RNA)
where:
Base-Base interactions energy: -240.176
where: short stacking energy: -113.928
Base-Backbone interact. energy: 0.003
local terms energy: -175.320406
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -216.372897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372897 (E_RNA)
where:
Base-Base interactions energy: -74.025
where: short stacking energy: -70.072
Base-Backbone interact. energy: 3.803
local terms energy: -146.151527
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -40.063
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: 4.384
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: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -935.702312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.702312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.702312 (E_RNA)
where:
Base-Base interactions energy: -648.337
where: short stacking energy: -283.845
Base-Backbone interact. energy: -1.238
local terms energy: -286.127283
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -72.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -846.251157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.251157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.251157 (E_RNA)
where:
Base-Base interactions energy: -580.243
where: short stacking energy: -242.313
Base-Backbone interact. energy: 0.090
local terms energy: -266.097679
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -52.577
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -44.836
tors. eta vs tors. theta energy: -61.453
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: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -815.500439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.500439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.500439 (E_RNA)
where:
Base-Base interactions energy: -558.370
where: short stacking energy: -247.556
Base-Backbone interact. energy: -0.700
local terms energy: -256.430896
where:
bonds (distance) C4'-P energy: -40.753
bonds (distance) P-C4' energy: -51.249
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -72.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -791.193243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.193243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.193243 (E_RNA)
where:
Base-Base interactions energy: -543.958
where: short stacking energy: -238.287
Base-Backbone interact. energy: 1.219
local terms energy: -248.454672
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -53.512
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -57.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -761.670421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.670421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.670421 (E_RNA)
where:
Base-Base interactions energy: -535.557
where: short stacking energy: -251.223
Base-Backbone interact. energy: 1.372
local terms energy: -227.485727
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -46.225
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -67.282
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: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -655.272239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.272239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.272239 (E_RNA)
where:
Base-Base interactions energy: -440.927
where: short stacking energy: -202.053
Base-Backbone interact. energy: 0.195
local terms energy: -214.539846
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -51.073
flat angles P-C4'-P energy: -36.359
tors. eta vs tors. theta energy: -36.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -597.488805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.488805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.488805 (E_RNA)
where:
Base-Base interactions energy: -385.454
where: short stacking energy: -175.999
Base-Backbone interact. energy: 0.258
local terms energy: -212.292479
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -44.230
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -19.886
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: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -546.335534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.335534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.335534 (E_RNA)
where:
Base-Base interactions energy: -356.771
where: short stacking energy: -147.902
Base-Backbone interact. energy: -0.239
local terms energy: -189.325163
where:
bonds (distance) C4'-P energy: -39.595
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -36.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -435.680341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.680341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.680341 (E_RNA)
where:
Base-Base interactions energy: -275.673
where: short stacking energy: -133.312
Base-Backbone interact. energy: -1.020
local terms energy: -158.987869
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -41.515
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -16.073
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -210.148402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.148402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148402 (E_RNA)
where:
Base-Base interactions energy: -87.366
where: short stacking energy: -64.777
Base-Backbone interact. energy: 4.711
local terms energy: -127.493317
where:
bonds (distance) C4'-P energy: -42.156
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: 5.663
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: 191
Temperature: 0.900000
Total energy: -926.994016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.994016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.994016 (E_RNA)
where:
Base-Base interactions energy: -647.137
where: short stacking energy: -276.822
Base-Backbone interact. energy: -1.824
local terms energy: -278.032756
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -55.463
flat angles C4'-P-C4' energy: -55.927
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -72.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -837.596655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.596655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.596655 (E_RNA)
where:
Base-Base interactions energy: -568.297
where: short stacking energy: -261.422
Base-Backbone interact. energy: -0.858
local terms energy: -268.441497
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -51.901
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -70.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -798.000862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.000862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.000862 (E_RNA)
where:
Base-Base interactions energy: -546.819
where: short stacking energy: -233.495
Base-Backbone interact. energy: -0.920
local terms energy: -250.261238
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -59.556
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -62.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -805.579195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.579195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.579195 (E_RNA)
where:
Base-Base interactions energy: -544.422
where: short stacking energy: -240.904
Base-Backbone interact. energy: 0.274
local terms energy: -261.431863
where:
bonds (distance) C4'-P energy: -53.132
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -52.215
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -67.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -768.262562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.262562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.262562 (E_RNA)
where:
Base-Base interactions energy: -526.892
where: short stacking energy: -206.210
Base-Backbone interact. energy: -1.936
local terms energy: -239.434119
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -41.962
tors. eta vs tors. theta energy: -49.736
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: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -618.866513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.866513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.866513 (E_RNA)
where:
Base-Base interactions energy: -392.742
where: short stacking energy: -164.348
Base-Backbone interact. energy: 0.071
local terms energy: -226.195604
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -59.401
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -43.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -626.377113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.377113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.377113 (E_RNA)
where:
Base-Base interactions energy: -417.479
where: short stacking energy: -185.363
Base-Backbone interact. energy: 1.774
local terms energy: -210.672590
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -47.504
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -46.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -538.398167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.398167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.398167 (E_RNA)
where:
Base-Base interactions energy: -325.470
where: short stacking energy: -147.595
Base-Backbone interact. energy: 1.173
local terms energy: -214.101383
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -42.915
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -44.234
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: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -385.417228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.417228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.417228 (E_RNA)
where:
Base-Base interactions energy: -232.107
where: short stacking energy: -117.916
Base-Backbone interact. energy: -0.451
local terms energy: -152.858897
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -42.195
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -269.694014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.694014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.694014 (E_RNA)
where:
Base-Base interactions energy: -115.360
where: short stacking energy: -74.920
Base-Backbone interact. energy: -0.111
local terms energy: -154.223470
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -45.893
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: 12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -929.580001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.580001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.580001 (E_RNA)
where:
Base-Base interactions energy: -645.110
where: short stacking energy: -279.278
Base-Backbone interact. energy: -2.829
local terms energy: -281.641255
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -74.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -850.374682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.374682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.374682 (E_RNA)
where:
Base-Base interactions energy: -582.908
where: short stacking energy: -250.958
Base-Backbone interact. energy: -0.614
local terms energy: -266.852716
where:
bonds (distance) C4'-P energy: -48.281
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -71.578
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: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -814.224599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.224599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.224599 (E_RNA)
where:
Base-Base interactions energy: -561.675
where: short stacking energy: -254.922
Base-Backbone interact. energy: -1.132
local terms energy: -251.417719
where:
bonds (distance) C4'-P energy: -49.555
bonds (distance) P-C4' energy: -43.794
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -71.509
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: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -798.048461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.048461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.048461 (E_RNA)
where:
Base-Base interactions energy: -540.292
where: short stacking energy: -237.844
Base-Backbone interact. energy: -2.553
local terms energy: -255.203694
where:
bonds (distance) C4'-P energy: -40.996
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -775.679218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.679218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.679218 (E_RNA)
where:
Base-Base interactions energy: -532.649
where: short stacking energy: -220.164
Base-Backbone interact. energy: 3.629
local terms energy: -246.659309
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -55.349
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: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -679.446298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.446298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.446298 (E_RNA)
where:
Base-Base interactions energy: -453.954
where: short stacking energy: -193.076
Base-Backbone interact. energy: -1.714
local terms energy: -223.779096
where:
bonds (distance) C4'-P energy: -45.615
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -29.598
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: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -646.345439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.345439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.345439 (E_RNA)
where:
Base-Base interactions energy: -445.485
where: short stacking energy: -187.153
Base-Backbone interact. energy: 0.311
local terms energy: -201.172010
where:
bonds (distance) C4'-P energy: -42.130
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -42.685
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -571.815728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.815728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.815728 (E_RNA)
where:
Base-Base interactions energy: -370.639
where: short stacking energy: -167.174
Base-Backbone interact. energy: -1.183
local terms energy: -199.993334
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -34.642
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -417.380352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.380352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.380352 (E_RNA)
where:
Base-Base interactions energy: -243.803
where: short stacking energy: -116.263
Base-Backbone interact. energy: 2.425
local terms energy: -176.002423
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -33.078
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -35.898
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -288.170049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.170049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.170049 (E_RNA)
where:
Base-Base interactions energy: -130.969
where: short stacking energy: -99.242
Base-Backbone interact. energy: -1.176
local terms energy: -156.025379
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -940.593046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.593046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.593046 (E_RNA)
where:
Base-Base interactions energy: -651.055
where: short stacking energy: -275.596
Base-Backbone interact. energy: 0.244
local terms energy: -289.782215
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -53.971
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -44.108
tors. eta vs tors. theta energy: -76.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -841.021425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.021425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.021425 (E_RNA)
where:
Base-Base interactions energy: -553.332
where: short stacking energy: -261.183
Base-Backbone interact. energy: -0.808
local terms energy: -286.881177
where:
bonds (distance) C4'-P energy: -55.875
bonds (distance) P-C4' energy: -55.570
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -72.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -842.668780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.668780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.668780 (E_RNA)
where:
Base-Base interactions energy: -585.269
where: short stacking energy: -254.916
Base-Backbone interact. energy: 0.264
local terms energy: -257.664076
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -61.576
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -800.352756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.352756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.352756 (E_RNA)
where:
Base-Base interactions energy: -560.731
where: short stacking energy: -244.276
Base-Backbone interact. energy: -1.266
local terms energy: -238.355752
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -44.838
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -53.721
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: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -732.160728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.160728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.160728 (E_RNA)
where:
Base-Base interactions energy: -491.261
where: short stacking energy: -208.341
Base-Backbone interact. energy: 1.557
local terms energy: -242.457306
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -59.566
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -49.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -663.278698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.278698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.278698 (E_RNA)
where:
Base-Base interactions energy: -454.181
where: short stacking energy: -191.025
Base-Backbone interact. energy: 0.126
local terms energy: -209.223602
where:
bonds (distance) C4'-P energy: -43.195
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -38.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -642.646750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.646750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.646750 (E_RNA)
where:
Base-Base interactions energy: -428.438
where: short stacking energy: -186.693
Base-Backbone interact. energy: -0.928
local terms energy: -213.280683
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -37.877
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: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -583.569955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.569955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.569955 (E_RNA)
where:
Base-Base interactions energy: -382.773
where: short stacking energy: -178.114
Base-Backbone interact. energy: -2.703
local terms energy: -198.093864
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -54.449
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -44.898
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: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -430.730304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.730304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.730304 (E_RNA)
where:
Base-Base interactions energy: -249.731
where: short stacking energy: -116.979
Base-Backbone interact. energy: -0.906
local terms energy: -180.093009
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -270.261587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.261587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.261587 (E_RNA)
where:
Base-Base interactions energy: -115.080
where: short stacking energy: -78.357
Base-Backbone interact. energy: -0.974
local terms energy: -154.207440
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -8.511
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: 194
Temperature: 0.900000
Total energy: -938.504661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.504661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.504661 (E_RNA)
where:
Base-Base interactions energy: -644.706
where: short stacking energy: -270.208
Base-Backbone interact. energy: -1.809
local terms energy: -291.989520
where:
bonds (distance) C4'-P energy: -52.166
bonds (distance) P-C4' energy: -55.971
flat angles C4'-P-C4' energy: -56.884
flat angles P-C4'-P energy: -49.006
tors. eta vs tors. theta energy: -77.963
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -843.281486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.281486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.281486 (E_RNA)
where:
Base-Base interactions energy: -566.806
where: short stacking energy: -259.545
Base-Backbone interact. energy: 0.279
local terms energy: -276.754530
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -77.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -830.481888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.481888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.481888 (E_RNA)
where:
Base-Base interactions energy: -570.805
where: short stacking energy: -252.636
Base-Backbone interact. energy: -1.090
local terms energy: -258.586914
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -65.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -799.676138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.676138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.676138 (E_RNA)
where:
Base-Base interactions energy: -549.535
where: short stacking energy: -243.528
Base-Backbone interact. energy: -3.089
local terms energy: -247.051920
where:
bonds (distance) C4'-P energy: -55.593
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -51.075
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -62.515
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -755.569188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.569188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.569188 (E_RNA)
where:
Base-Base interactions energy: -499.158
where: short stacking energy: -208.096
Base-Backbone interact. energy: -0.932
local terms energy: -255.478979
where:
bonds (distance) C4'-P energy: -48.954
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -49.171
tors. eta vs tors. theta energy: -53.193
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: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -655.211243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.211243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.211243 (E_RNA)
where:
Base-Base interactions energy: -440.076
where: short stacking energy: -194.673
Base-Backbone interact. energy: 1.793
local terms energy: -216.928877
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -48.540
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -41.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -620.154537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.154537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.154537 (E_RNA)
where:
Base-Base interactions energy: -406.487
where: short stacking energy: -195.412
Base-Backbone interact. energy: -0.189
local terms energy: -213.479122
where:
bonds (distance) C4'-P energy: -48.686
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -41.348
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -641.375899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.375899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.375899 (E_RNA)
where:
Base-Base interactions energy: -422.308
where: short stacking energy: -193.692
Base-Backbone interact. energy: 0.115
local terms energy: -219.182518
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -43.377
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -412.273118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.273118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.273118 (E_RNA)
where:
Base-Base interactions energy: -256.405
where: short stacking energy: -132.600
Base-Backbone interact. energy: -0.270
local terms energy: -155.597847
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -247.695102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.695102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.695102 (E_RNA)
where:
Base-Base interactions energy: -92.278
where: short stacking energy: -58.040
Base-Backbone interact. energy: 0.255
local terms energy: -155.671314
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -46.815
flat angles C4'-P-C4' energy: -45.223
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: 5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -933.312784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.312784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.312784 (E_RNA)
where:
Base-Base interactions energy: -644.350
where: short stacking energy: -267.621
Base-Backbone interact. energy: 1.345
local terms energy: -290.308021
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -77.595
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: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -857.364632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.364632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.364632 (E_RNA)
where:
Base-Base interactions energy: -592.571
where: short stacking energy: -244.838
Base-Backbone interact. energy: -1.354
local terms energy: -263.439078
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: -68.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -825.652914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.652914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.652914 (E_RNA)
where:
Base-Base interactions energy: -567.603
where: short stacking energy: -266.113
Base-Backbone interact. energy: 0.778
local terms energy: -258.828291
where:
bonds (distance) C4'-P energy: -48.948
bonds (distance) P-C4' energy: -51.878
flat angles C4'-P-C4' energy: -51.192
flat angles P-C4'-P energy: -30.874
tors. eta vs tors. theta energy: -75.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -776.177769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.177769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.177769 (E_RNA)
where:
Base-Base interactions energy: -545.490
where: short stacking energy: -209.978
Base-Backbone interact. energy: 0.689
local terms energy: -231.377466
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -56.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -735.296159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.296159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.296159 (E_RNA)
where:
Base-Base interactions energy: -493.552
where: short stacking energy: -204.111
Base-Backbone interact. energy: 0.017
local terms energy: -241.761722
where:
bonds (distance) C4'-P energy: -54.149
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -50.025
flat angles P-C4'-P energy: -41.899
tors. eta vs tors. theta energy: -57.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -665.908412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.908412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.908412 (E_RNA)
where:
Base-Base interactions energy: -438.038
where: short stacking energy: -186.818
Base-Backbone interact. energy: 0.021
local terms energy: -227.891565
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -51.299
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: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -635.063530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.063530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.063530 (E_RNA)
where:
Base-Base interactions energy: -423.349
where: short stacking energy: -183.217
Base-Backbone interact. energy: 0.614
local terms energy: -212.329085
where:
bonds (distance) C4'-P energy: -43.352
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -44.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -631.621374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.621374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.621374 (E_RNA)
where:
Base-Base interactions energy: -435.152
where: short stacking energy: -188.570
Base-Backbone interact. energy: -1.646
local terms energy: -194.823343
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -40.386
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -40.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -440.928421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.928421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.928421 (E_RNA)
where:
Base-Base interactions energy: -259.656
where: short stacking energy: -133.313
Base-Backbone interact. energy: -0.044
local terms energy: -181.228941
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -224.677638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.677638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.677638 (E_RNA)
where:
Base-Base interactions energy: -76.552
where: short stacking energy: -51.060
Base-Backbone interact. energy: -1.262
local terms energy: -146.862854
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -923.170949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.170949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.170949 (E_RNA)
where:
Base-Base interactions energy: -644.551
where: short stacking energy: -278.006
Base-Backbone interact. energy: 0.630
local terms energy: -279.249705
where:
bonds (distance) C4'-P energy: -57.985
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -75.764
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -848.349650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.349650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.349650 (E_RNA)
where:
Base-Base interactions energy: -585.429
where: short stacking energy: -239.930
Base-Backbone interact. energy: -0.640
local terms energy: -262.279899
where:
bonds (distance) C4'-P energy: -56.433
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -52.159
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -64.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -835.262928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.262928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.262928 (E_RNA)
where:
Base-Base interactions energy: -564.752
where: short stacking energy: -265.853
Base-Backbone interact. energy: -0.266
local terms energy: -270.245123
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -47.640
flat angles C4'-P-C4' energy: -60.573
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -79.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -787.128882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.128882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.128882 (E_RNA)
where:
Base-Base interactions energy: -546.637
where: short stacking energy: -220.922
Base-Backbone interact. energy: -1.757
local terms energy: -238.734319
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -53.527
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -49.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -728.769176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.769176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.769176 (E_RNA)
where:
Base-Base interactions energy: -497.812
where: short stacking energy: -210.921
Base-Backbone interact. energy: 0.699
local terms energy: -231.656284
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -46.763
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -39.396
tors. eta vs tors. theta energy: -57.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -612.189362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.189362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.189362 (E_RNA)
where:
Base-Base interactions energy: -377.120
where: short stacking energy: -166.731
Base-Backbone interact. energy: -1.330
local terms energy: -233.739559
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -55.649
flat angles C4'-P-C4' energy: -53.924
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -636.075262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.075262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.075262 (E_RNA)
where:
Base-Base interactions energy: -406.802
where: short stacking energy: -192.603
Base-Backbone interact. energy: -0.954
local terms energy: -228.319152
where:
bonds (distance) C4'-P energy: -40.097
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -49.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -638.644440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.644440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.644440 (E_RNA)
where:
Base-Base interactions energy: -433.614
where: short stacking energy: -187.510
Base-Backbone interact. energy: 0.674
local terms energy: -205.703932
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -41.264
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: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -427.659158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.659158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.659158 (E_RNA)
where:
Base-Base interactions energy: -237.331
where: short stacking energy: -114.445
Base-Backbone interact. energy: -0.460
local terms energy: -189.868377
where:
bonds (distance) C4'-P energy: -40.814
bonds (distance) P-C4' energy: -48.330
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -30.987
tors. eta vs tors. theta energy: -24.364
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: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -229.957082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.957082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.957082 (E_RNA)
where:
Base-Base interactions energy: -89.140
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.098
local terms energy: -140.719165
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: 8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -914.469114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.469114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.469114 (E_RNA)
where:
Base-Base interactions energy: -632.789
where: short stacking energy: -273.915
Base-Backbone interact. energy: -1.388
local terms energy: -280.292718
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -43.506
tors. eta vs tors. theta energy: -80.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -850.902045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.902045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.902045 (E_RNA)
where:
Base-Base interactions energy: -578.014
where: short stacking energy: -274.212
Base-Backbone interact. energy: 2.280
local terms energy: -275.167213
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -54.519
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -78.033
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: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -841.878861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.878861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.878861 (E_RNA)
where:
Base-Base interactions energy: -586.347
where: short stacking energy: -248.218
Base-Backbone interact. energy: -0.692
local terms energy: -254.839701
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -59.750
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: -66.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -788.078785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.078785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.078785 (E_RNA)
where:
Base-Base interactions energy: -532.598
where: short stacking energy: -225.165
Base-Backbone interact. energy: -1.228
local terms energy: -254.252813
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -37.858
tors. eta vs tors. theta energy: -60.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -756.542000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.542000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.542000 (E_RNA)
where:
Base-Base interactions energy: -513.958
where: short stacking energy: -218.920
Base-Backbone interact. energy: -1.033
local terms energy: -241.551523
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -50.881
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -63.171
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: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -606.999351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.999351 (E_RNA)
where:
Base-Base interactions energy: -405.209
where: short stacking energy: -190.688
Base-Backbone interact. energy: -3.299
local terms energy: -198.490936
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -40.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -614.130098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.130098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.130098 (E_RNA)
where:
Base-Base interactions energy: -409.381
where: short stacking energy: -172.013
Base-Backbone interact. energy: 0.053
local terms energy: -204.802070
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -43.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -605.216848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.216848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.216848 (E_RNA)
where:
Base-Base interactions energy: -418.950
where: short stacking energy: -176.355
Base-Backbone interact. energy: -0.274
local terms energy: -185.993390
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -46.383
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -33.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -439.014848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.014848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.014848 (E_RNA)
where:
Base-Base interactions energy: -278.944
where: short stacking energy: -114.992
Base-Backbone interact. energy: 1.886
local terms energy: -161.957126
where:
bonds (distance) C4'-P energy: -49.061
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -229.643514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643514 (E_RNA)
where:
Base-Base interactions energy: -106.280
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.752
local terms energy: -122.611202
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: 5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -921.715311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.715311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.715311 (E_RNA)
where:
Base-Base interactions energy: -642.192
where: short stacking energy: -270.500
Base-Backbone interact. energy: -1.320
local terms energy: -278.204075
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -62.221
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -66.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -864.790015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.790015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.790015 (E_RNA)
where:
Base-Base interactions energy: -593.520
where: short stacking energy: -254.100
Base-Backbone interact. energy: -0.871
local terms energy: -270.398424
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -55.593
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -78.416
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: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -859.904876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.904876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.904876 (E_RNA)
where:
Base-Base interactions energy: -595.373
where: short stacking energy: -243.973
Base-Backbone interact. energy: 2.708
local terms energy: -267.240383
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -54.516
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -64.663
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -766.173815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.173815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.173815 (E_RNA)
where:
Base-Base interactions energy: -523.553
where: short stacking energy: -235.074
Base-Backbone interact. energy: -0.481
local terms energy: -242.139960
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -60.027
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: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -757.611659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.611659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.611659 (E_RNA)
where:
Base-Base interactions energy: -515.820
where: short stacking energy: -221.029
Base-Backbone interact. energy: -0.814
local terms energy: -240.977121
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -45.333
flat angles P-C4'-P energy: -34.087
tors. eta vs tors. theta energy: -65.802
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: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -674.705949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.705949 (E_RNA)
where:
Base-Base interactions energy: -441.322
where: short stacking energy: -199.553
Base-Backbone interact. energy: 0.323
local terms energy: -233.707799
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: -52.900
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: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -636.259188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.259188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.259188 (E_RNA)
where:
Base-Base interactions energy: -413.399
where: short stacking energy: -195.413
Base-Backbone interact. energy: -0.632
local terms energy: -222.228190
where:
bonds (distance) C4'-P energy: -48.857
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -40.066
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -600.369502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.369502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.369502 (E_RNA)
where:
Base-Base interactions energy: -401.278
where: short stacking energy: -171.749
Base-Backbone interact. energy: 1.442
local terms energy: -200.533691
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -40.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -448.626227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.626227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.626227 (E_RNA)
where:
Base-Base interactions energy: -267.781
where: short stacking energy: -129.529
Base-Backbone interact. energy: -0.389
local terms energy: -180.456208
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -19.512
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: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -223.666322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.666322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.666322 (E_RNA)
where:
Base-Base interactions energy: -84.886
where: short stacking energy: -61.538
Base-Backbone interact. energy: -0.182
local terms energy: -138.598061
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -53.980
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: 13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -912.353337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.353337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.353337 (E_RNA)
where:
Base-Base interactions energy: -647.233
where: short stacking energy: -282.592
Base-Backbone interact. energy: -1.065
local terms energy: -264.054810
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -56.370
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -72.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -869.025483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.025483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.025483 (E_RNA)
where:
Base-Base interactions energy: -612.746
where: short stacking energy: -254.152
Base-Backbone interact. energy: -0.450
local terms energy: -255.829533
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -30.015
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: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -822.412194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.412194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.412194 (E_RNA)
where:
Base-Base interactions energy: -552.116
where: short stacking energy: -262.529
Base-Backbone interact. energy: -0.790
local terms energy: -269.506003
where:
bonds (distance) C4'-P energy: -51.009
bonds (distance) P-C4' energy: -44.925
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -43.199
tors. eta vs tors. theta energy: -77.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -779.478840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.478840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.478840 (E_RNA)
where:
Base-Base interactions energy: -533.903
where: short stacking energy: -217.710
Base-Backbone interact. energy: -0.889
local terms energy: -244.687047
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -36.758
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: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -763.858156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.858156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.858156 (E_RNA)
where:
Base-Base interactions energy: -521.865
where: short stacking energy: -229.111
Base-Backbone interact. energy: -1.383
local terms energy: -240.610342
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -51.236
flat angles P-C4'-P energy: -33.821
tors. eta vs tors. theta energy: -59.725
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: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -695.768898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.768898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.768898 (E_RNA)
where:
Base-Base interactions energy: -478.801
where: short stacking energy: -222.506
Base-Backbone interact. energy: -0.333
local terms energy: -216.634537
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -40.754
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -63.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -663.766753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.766753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.766753 (E_RNA)
where:
Base-Base interactions energy: -441.655
where: short stacking energy: -194.230
Base-Backbone interact. energy: -0.384
local terms energy: -221.727982
where:
bonds (distance) C4'-P energy: -37.507
bonds (distance) P-C4' energy: -50.687
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -54.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -620.107781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.107781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.107781 (E_RNA)
where:
Base-Base interactions energy: -418.130
where: short stacking energy: -175.106
Base-Backbone interact. energy: 3.433
local terms energy: -205.410740
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -49.676
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -455.671169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.671169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.671169 (E_RNA)
where:
Base-Base interactions energy: -268.706
where: short stacking energy: -130.208
Base-Backbone interact. energy: -1.278
local terms energy: -185.687154
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -24.936
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -242.250515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.250515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.250515 (E_RNA)
where:
Base-Base interactions energy: -100.848
where: short stacking energy: -79.889
Base-Backbone interact. energy: -0.836
local terms energy: -140.565796
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -43.496
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -4.382
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: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -915.405755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.405755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.405755 (E_RNA)
where:
Base-Base interactions energy: -640.018
where: short stacking energy: -259.860
Base-Backbone interact. energy: -1.556
local terms energy: -273.832249
where:
bonds (distance) C4'-P energy: -53.312
bonds (distance) P-C4' energy: -54.133
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -36.641
tors. eta vs tors. theta energy: -69.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -863.633334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.633334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.633334 (E_RNA)
where:
Base-Base interactions energy: -591.424
where: short stacking energy: -255.853
Base-Backbone interact. energy: 0.038
local terms energy: -272.247948
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -67.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -814.393279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.393279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.393279 (E_RNA)
where:
Base-Base interactions energy: -551.876
where: short stacking energy: -263.091
Base-Backbone interact. energy: -1.389
local terms energy: -261.128150
where:
bonds (distance) C4'-P energy: -52.900
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -70.092
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -779.237321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.237321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.237321 (E_RNA)
where:
Base-Base interactions energy: -538.702
where: short stacking energy: -250.425
Base-Backbone interact. energy: 0.270
local terms energy: -240.804891
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -54.606
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -741.141725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.141725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.141725 (E_RNA)
where:
Base-Base interactions energy: -499.109
where: short stacking energy: -221.321
Base-Backbone interact. energy: 0.161
local terms energy: -242.193625
where:
bonds (distance) C4'-P energy: -54.458
bonds (distance) P-C4' energy: -47.619
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -53.957
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -644.214040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.214040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.214040 (E_RNA)
where:
Base-Base interactions energy: -437.661
where: short stacking energy: -191.803
Base-Backbone interact. energy: 0.153
local terms energy: -206.705874
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -45.655
flat angles C4'-P-C4' energy: -48.729
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -41.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -645.589988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.589988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.589988 (E_RNA)
where:
Base-Base interactions energy: -437.749
where: short stacking energy: -201.908
Base-Backbone interact. energy: -0.430
local terms energy: -207.411047
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -54.717
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -52.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -574.052424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.052424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.052424 (E_RNA)
where:
Base-Base interactions energy: -356.532
where: short stacking energy: -168.379
Base-Backbone interact. energy: -0.547
local terms energy: -216.973284
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -51.961
flat angles C4'-P-C4' energy: -41.764
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -44.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -438.138205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.138205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.138205 (E_RNA)
where:
Base-Base interactions energy: -267.171
where: short stacking energy: -138.727
Base-Backbone interact. energy: -0.125
local terms energy: -170.841905
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -41.803
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -221.056713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.056713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.056713 (E_RNA)
where:
Base-Base interactions energy: -84.554
where: short stacking energy: -62.449
Base-Backbone interact. energy: 0.633
local terms energy: -137.135359
where:
bonds (distance) C4'-P energy: -44.136
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: 0.611
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: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -917.495255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.495255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.495255 (E_RNA)
where:
Base-Base interactions energy: -629.384
where: short stacking energy: -273.799
Base-Backbone interact. energy: -0.354
local terms energy: -287.756573
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -50.835
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -75.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -870.892409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.892409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.892409 (E_RNA)
where:
Base-Base interactions energy: -597.448
where: short stacking energy: -250.509
Base-Backbone interact. energy: 0.156
local terms energy: -273.600212
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -71.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -804.960593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.960593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.960593 (E_RNA)
where:
Base-Base interactions energy: -542.440
where: short stacking energy: -250.722
Base-Backbone interact. energy: -0.268
local terms energy: -262.252967
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -58.117
flat angles P-C4'-P energy: -33.602
tors. eta vs tors. theta energy: -73.350
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: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -772.952040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.952040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.952040 (E_RNA)
where:
Base-Base interactions energy: -519.806
where: short stacking energy: -237.030
Base-Backbone interact. energy: 0.856
local terms energy: -254.001724
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -52.473
flat angles C4'-P-C4' energy: -51.924
flat angles P-C4'-P energy: -34.208
tors. eta vs tors. theta energy: -65.848
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: 201
Temperature: 1.100000
Total energy: -762.871576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.871576 (E_RNA)
where:
Base-Base interactions energy: -519.593
where: short stacking energy: -236.651
Base-Backbone interact. energy: -0.619
local terms energy: -242.659842
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -611.017022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.017022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.017022 (E_RNA)
where:
Base-Base interactions energy: -399.399
where: short stacking energy: -187.582
Base-Backbone interact. energy: -0.768
local terms energy: -210.849260
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -50.032
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -36.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -659.306280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.306280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.306280 (E_RNA)
where:
Base-Base interactions energy: -452.164
where: short stacking energy: -197.691
Base-Backbone interact. energy: 0.059
local terms energy: -207.201281
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -51.238
flat angles C4'-P-C4' energy: -40.619
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -36.673
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: 201
Temperature: 1.250000
Total energy: -604.680667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.680667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.680667 (E_RNA)
where:
Base-Base interactions energy: -384.938
where: short stacking energy: -170.299
Base-Backbone interact. energy: -1.839
local terms energy: -217.903825
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -48.701
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -41.973
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: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -413.292079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.292079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.292079 (E_RNA)
where:
Base-Base interactions energy: -237.050
where: short stacking energy: -107.297
Base-Backbone interact. energy: -0.922
local terms energy: -175.320387
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -15.033
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -241.480934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.480934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.480934 (E_RNA)
where:
Base-Base interactions energy: -95.072
where: short stacking energy: -83.303
Base-Backbone interact. energy: -0.559
local terms energy: -145.850227
where:
bonds (distance) C4'-P energy: -33.803
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: 6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -918.510714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.510714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.510714 (E_RNA)
where:
Base-Base interactions energy: -639.478
where: short stacking energy: -273.626
Base-Backbone interact. energy: -1.460
local terms energy: -277.572637
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -72.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -875.329308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.329308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.329308 (E_RNA)
where:
Base-Base interactions energy: -612.771
where: short stacking energy: -244.620
Base-Backbone interact. energy: 1.293
local terms energy: -263.850480
where:
bonds (distance) C4'-P energy: -40.221
bonds (distance) P-C4' energy: -57.448
flat angles C4'-P-C4' energy: -58.382
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: -71.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -830.187497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.187497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.187497 (E_RNA)
where:
Base-Base interactions energy: -564.481
where: short stacking energy: -247.834
Base-Backbone interact. energy: -0.709
local terms energy: -264.996739
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -52.971
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -66.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -793.992514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.992514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.992514 (E_RNA)
where:
Base-Base interactions energy: -552.654
where: short stacking energy: -222.962
Base-Backbone interact. energy: 0.034
local terms energy: -241.372034
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -52.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -749.269238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.269238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.269238 (E_RNA)
where:
Base-Base interactions energy: -509.447
where: short stacking energy: -218.560
Base-Backbone interact. energy: -0.525
local terms energy: -239.297445
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -657.755121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.755121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.755121 (E_RNA)
where:
Base-Base interactions energy: -429.641
where: short stacking energy: -209.691
Base-Backbone interact. energy: 1.272
local terms energy: -229.385256
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -48.474
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -37.428
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: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -586.393741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.393741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.393741 (E_RNA)
where:
Base-Base interactions energy: -393.122
where: short stacking energy: -165.202
Base-Backbone interact. energy: -1.251
local terms energy: -192.020386
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -34.234
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -585.572791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.572791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.572791 (E_RNA)
where:
Base-Base interactions energy: -369.075
where: short stacking energy: -172.305
Base-Backbone interact. energy: 0.330
local terms energy: -216.827962
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -49.590
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -39.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -436.999946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.999946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.999946 (E_RNA)
where:
Base-Base interactions energy: -258.205
where: short stacking energy: -120.521
Base-Backbone interact. energy: -0.066
local terms energy: -178.729134
where:
bonds (distance) C4'-P energy: -43.607
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -214.024134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.024134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.024134 (E_RNA)
where:
Base-Base interactions energy: -68.340
where: short stacking energy: -58.633
Base-Backbone interact. energy: -1.560
local terms energy: -144.124187
where:
bonds (distance) C4'-P energy: -39.953
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -45.665
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: 6.785
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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -910.000564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.000564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.000564 (E_RNA)
where:
Base-Base interactions energy: -626.995
where: short stacking energy: -268.339
Base-Backbone interact. energy: -2.444
local terms energy: -280.561142
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -53.527
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -33.885
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: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -863.122461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.122461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.122461 (E_RNA)
where:
Base-Base interactions energy: -603.506
where: short stacking energy: -247.829
Base-Backbone interact. energy: -0.707
local terms energy: -258.909204
where:
bonds (distance) C4'-P energy: -54.687
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -65.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -809.309799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.309799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.309799 (E_RNA)
where:
Base-Base interactions energy: -546.013
where: short stacking energy: -249.554
Base-Backbone interact. energy: -0.545
local terms energy: -262.751750
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -57.803
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -64.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -789.230190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.230190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.230190 (E_RNA)
where:
Base-Base interactions energy: -533.942
where: short stacking energy: -222.472
Base-Backbone interact. energy: -0.320
local terms energy: -254.968466
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -59.557
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: -64.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -774.105623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.105623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.105623 (E_RNA)
where:
Base-Base interactions energy: -553.106
where: short stacking energy: -240.443
Base-Backbone interact. energy: -0.374
local terms energy: -220.625486
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -40.817
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -55.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -635.335997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.335997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.335997 (E_RNA)
where:
Base-Base interactions energy: -421.803
where: short stacking energy: -200.997
Base-Backbone interact. energy: -1.360
local terms energy: -212.172783
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -46.874
flat angles C4'-P-C4' energy: -47.768
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -560.915402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.915402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.915402 (E_RNA)
where:
Base-Base interactions energy: -359.896
where: short stacking energy: -171.947
Base-Backbone interact. energy: -1.688
local terms energy: -199.331183
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -557.485230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.485230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.485230 (E_RNA)
where:
Base-Base interactions energy: -351.348
where: short stacking energy: -155.732
Base-Backbone interact. energy: -4.007
local terms energy: -202.129736
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -51.915
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -28.804
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: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -452.542670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.542670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.542670 (E_RNA)
where:
Base-Base interactions energy: -260.611
where: short stacking energy: -127.641
Base-Backbone interact. energy: -1.270
local terms energy: -190.661454
where:
bonds (distance) C4'-P energy: -49.404
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -53.970
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -32.885
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: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -241.704049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.704049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.704049 (E_RNA)
where:
Base-Base interactions energy: -120.189
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.444
local terms energy: -121.071805
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -885.665096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.665096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.665096 (E_RNA)
where:
Base-Base interactions energy: -615.185
where: short stacking energy: -262.036
Base-Backbone interact. energy: -1.544
local terms energy: -268.936146
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -46.099
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -70.317
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: 204
Temperature: 0.950000
Total energy: -914.026909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.026909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.026909 (E_RNA)
where:
Base-Base interactions energy: -627.743
where: short stacking energy: -265.682
Base-Backbone interact. energy: -3.050
local terms energy: -283.233889
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -32.991
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: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -809.037163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.037163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.037163 (E_RNA)
where:
Base-Base interactions energy: -541.066
where: short stacking energy: -235.305
Base-Backbone interact. energy: 0.123
local terms energy: -268.094382
where:
bonds (distance) C4'-P energy: -55.344
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -37.324
tors. eta vs tors. theta energy: -63.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -811.482294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.482294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.482294 (E_RNA)
where:
Base-Base interactions energy: -542.987
where: short stacking energy: -239.794
Base-Backbone interact. energy: -0.888
local terms energy: -267.606962
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -59.178
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -36.898
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: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -754.193145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.193145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.193145 (E_RNA)
where:
Base-Base interactions energy: -518.420
where: short stacking energy: -210.599
Base-Backbone interact. energy: -0.477
local terms energy: -235.296517
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -54.291
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -51.874
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: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -607.557896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.557896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.557896 (E_RNA)
where:
Base-Base interactions energy: -390.730
where: short stacking energy: -175.168
Base-Backbone interact. energy: -1.438
local terms energy: -215.389779
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -38.619
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: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -586.260654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.260654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.260654 (E_RNA)
where:
Base-Base interactions energy: -364.209
where: short stacking energy: -178.910
Base-Backbone interact. energy: 0.694
local terms energy: -222.746099
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -46.872
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -567.818429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.818429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.818429 (E_RNA)
where:
Base-Base interactions energy: -369.627
where: short stacking energy: -169.429
Base-Backbone interact. energy: -0.518
local terms energy: -197.673821
where:
bonds (distance) C4'-P energy: -41.563
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -50.545
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -424.861324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.861324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.861324 (E_RNA)
where:
Base-Base interactions energy: -237.248
where: short stacking energy: -107.039
Base-Backbone interact. energy: -0.444
local terms energy: -187.168963
where:
bonds (distance) C4'-P energy: -48.734
bonds (distance) P-C4' energy: -56.505
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -229.742628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.742628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.742628 (E_RNA)
where:
Base-Base interactions energy: -75.288
where: short stacking energy: -67.109
Base-Backbone interact. energy: 1.045
local terms energy: -155.499076
where:
bonds (distance) C4'-P energy: -48.997
bonds (distance) P-C4' energy: -46.502
flat angles C4'-P-C4' energy: -46.161
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: 11.674
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: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -896.965817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.965817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.965817 (E_RNA)
where:
Base-Base interactions energy: -617.185
where: short stacking energy: -254.474
Base-Backbone interact. energy: -0.753
local terms energy: -279.028172
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -57.467
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -71.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -900.888705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.888705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.888705 (E_RNA)
where:
Base-Base interactions energy: -626.204
where: short stacking energy: -269.261
Base-Backbone interact. energy: -0.761
local terms energy: -273.924174
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -36.486
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: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -815.856993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.856993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.856993 (E_RNA)
where:
Base-Base interactions energy: -553.579
where: short stacking energy: -229.341
Base-Backbone interact. energy: -0.641
local terms energy: -261.637620
where:
bonds (distance) C4'-P energy: -51.959
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -53.299
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -66.103
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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -793.801259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.801259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.801259 (E_RNA)
where:
Base-Base interactions energy: -535.673
where: short stacking energy: -241.565
Base-Backbone interact. energy: -0.570
local terms energy: -257.558014
where:
bonds (distance) C4'-P energy: -46.441
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -68.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -754.459376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.459376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.459376 (E_RNA)
where:
Base-Base interactions energy: -513.554
where: short stacking energy: -215.552
Base-Backbone interact. energy: 0.054
local terms energy: -240.959668
where:
bonds (distance) C4'-P energy: -49.920
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -56.801
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -641.699967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.699967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.699967 (E_RNA)
where:
Base-Base interactions energy: -411.545
where: short stacking energy: -192.398
Base-Backbone interact. energy: 1.601
local terms energy: -231.755564
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -54.061
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: -50.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -589.322063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.322063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.322063 (E_RNA)
where:
Base-Base interactions energy: -372.130
where: short stacking energy: -163.312
Base-Backbone interact. energy: -2.104
local terms energy: -215.088345
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -36.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -602.770154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.770154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.770154 (E_RNA)
where:
Base-Base interactions energy: -390.697
where: short stacking energy: -174.467
Base-Backbone interact. energy: 2.235
local terms energy: -214.308978
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -51.770
flat angles C4'-P-C4' energy: -50.982
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -41.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -487.263183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.263183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.263183 (E_RNA)
where:
Base-Base interactions energy: -298.228
where: short stacking energy: -120.201
Base-Backbone interact. energy: -1.280
local terms energy: -187.755167
where:
bonds (distance) C4'-P energy: -47.741
bonds (distance) P-C4' energy: -45.503
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -23.769
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: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -246.583322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.583322 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -78.490
Base-Backbone interact. energy: -1.770
local terms energy: -128.415746
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -54.167
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: 7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -893.947592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.947592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.947592 (E_RNA)
where:
Base-Base interactions energy: -605.344
where: short stacking energy: -249.589
Base-Backbone interact. energy: 0.284
local terms energy: -288.888066
where:
bonds (distance) C4'-P energy: -52.953
bonds (distance) P-C4' energy: -60.623
flat angles C4'-P-C4' energy: -60.404
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -70.113
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: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -891.244344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.244344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.244344 (E_RNA)
where:
Base-Base interactions energy: -617.542
where: short stacking energy: -264.188
Base-Backbone interact. energy: 2.054
local terms energy: -275.756079
where:
bonds (distance) C4'-P energy: -47.986
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -59.510
flat angles P-C4'-P energy: -41.064
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: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -798.646087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.646087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.646087 (E_RNA)
where:
Base-Base interactions energy: -549.018
where: short stacking energy: -239.255
Base-Backbone interact. energy: -0.367
local terms energy: -249.261495
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -48.463
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -59.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -786.483575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.483575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.483575 (E_RNA)
where:
Base-Base interactions energy: -540.920
where: short stacking energy: -238.986
Base-Backbone interact. energy: -0.738
local terms energy: -244.824797
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -51.096
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -59.319
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: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -749.457826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.457826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.457826 (E_RNA)
where:
Base-Base interactions energy: -505.015
where: short stacking energy: -212.816
Base-Backbone interact. energy: -0.869
local terms energy: -243.574073
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -53.431
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: -54.338
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: 206
Temperature: 1.150000
Total energy: -627.053665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.053665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.053665 (E_RNA)
where:
Base-Base interactions energy: -406.231
where: short stacking energy: -184.265
Base-Backbone interact. energy: -1.347
local terms energy: -219.475723
where:
bonds (distance) C4'-P energy: -56.677
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -38.558
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: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -599.680697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.680697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.680697 (E_RNA)
where:
Base-Base interactions energy: -395.634
where: short stacking energy: -182.307
Base-Backbone interact. energy: -0.938
local terms energy: -203.109157
where:
bonds (distance) C4'-P energy: -43.456
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -44.966
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -40.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -585.636071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.636071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.636071 (E_RNA)
where:
Base-Base interactions energy: -354.500
where: short stacking energy: -162.775
Base-Backbone interact. energy: -1.768
local terms energy: -229.367432
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -48.650
flat angles C4'-P-C4' energy: -48.230
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -41.870
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: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -450.429150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.429150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.429150 (E_RNA)
where:
Base-Base interactions energy: -282.681
where: short stacking energy: -118.761
Base-Backbone interact. energy: -0.719
local terms energy: -167.029470
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -230.683767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.683767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.683767 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -44.453
Base-Backbone interact. energy: 1.359
local terms energy: -119.582163
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -29.464
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: 7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -867.862420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.862420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.862420 (E_RNA)
where:
Base-Base interactions energy: -606.543
where: short stacking energy: -249.679
Base-Backbone interact. energy: 0.221
local terms energy: -261.540234
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -55.604
flat angles C4'-P-C4' energy: -51.362
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -886.411529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.411529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.411529 (E_RNA)
where:
Base-Base interactions energy: -603.738
where: short stacking energy: -280.957
Base-Backbone interact. energy: -1.445
local terms energy: -281.228394
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -75.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -811.444465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.444465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.444465 (E_RNA)
where:
Base-Base interactions energy: -551.257
where: short stacking energy: -244.574
Base-Backbone interact. energy: -0.782
local terms energy: -259.405588
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -44.755
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -33.598
tors. eta vs tors. theta energy: -74.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -791.773733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.773733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.773733 (E_RNA)
where:
Base-Base interactions energy: -544.687
where: short stacking energy: -212.466
Base-Backbone interact. energy: -0.728
local terms energy: -246.358613
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -55.134
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -58.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -754.929368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.929368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.929368 (E_RNA)
where:
Base-Base interactions energy: -511.557
where: short stacking energy: -235.219
Base-Backbone interact. energy: -2.343
local terms energy: -241.029168
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -36.438
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -608.530256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.530256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.530256 (E_RNA)
where:
Base-Base interactions energy: -386.489
where: short stacking energy: -184.521
Base-Backbone interact. energy: -0.729
local terms energy: -221.312256
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -44.304
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: -42.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -588.618031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.618031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.618031 (E_RNA)
where:
Base-Base interactions energy: -388.683
where: short stacking energy: -164.748
Base-Backbone interact. energy: -0.997
local terms energy: -198.937549
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -469.894880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.894880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.894880 (E_RNA)
where:
Base-Base interactions energy: -282.962
where: short stacking energy: -122.784
Base-Backbone interact. energy: -0.842
local terms energy: -186.091424
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -48.906
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -535.019690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.019690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.019690 (E_RNA)
where:
Base-Base interactions energy: -341.046
where: short stacking energy: -152.213
Base-Backbone interact. energy: -0.614
local terms energy: -193.359153
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -32.351
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -225.825628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.825628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.825628 (E_RNA)
where:
Base-Base interactions energy: -74.986
where: short stacking energy: -72.854
Base-Backbone interact. energy: 0.720
local terms energy: -151.559643
where:
bonds (distance) C4'-P energy: -38.042
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -40.533
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -890.191839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.191839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.191839 (E_RNA)
where:
Base-Base interactions energy: -613.037
where: short stacking energy: -243.641
Base-Backbone interact. energy: -1.426
local terms energy: -275.728038
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -46.864
flat angles C4'-P-C4' energy: -64.475
flat angles P-C4'-P energy: -37.629
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: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -870.468087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.468087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.468087 (E_RNA)
where:
Base-Base interactions energy: -604.620
where: short stacking energy: -266.115
Base-Backbone interact. energy: -0.392
local terms energy: -265.456159
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -69.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -796.443617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.443617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.443617 (E_RNA)
where:
Base-Base interactions energy: -522.764
where: short stacking energy: -231.592
Base-Backbone interact. energy: -0.736
local terms energy: -272.944040
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -60.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -794.236819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.236819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.236819 (E_RNA)
where:
Base-Base interactions energy: -541.798
where: short stacking energy: -234.648
Base-Backbone interact. energy: 3.550
local terms energy: -255.988738
where:
bonds (distance) C4'-P energy: -45.833
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -35.977
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: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -743.774107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.774107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.774107 (E_RNA)
where:
Base-Base interactions energy: -511.635
where: short stacking energy: -227.498
Base-Backbone interact. energy: -0.442
local terms energy: -231.697115
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -43.728
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -32.497
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: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -616.650709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.650709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.650709 (E_RNA)
where:
Base-Base interactions energy: -407.072
where: short stacking energy: -193.228
Base-Backbone interact. energy: -0.734
local terms energy: -208.844633
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -39.387
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: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -625.319048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.319048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.319048 (E_RNA)
where:
Base-Base interactions energy: -422.783
where: short stacking energy: -183.949
Base-Backbone interact. energy: 2.748
local terms energy: -205.284618
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -505.481653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.481653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.481653 (E_RNA)
where:
Base-Base interactions energy: -326.848
where: short stacking energy: -156.589
Base-Backbone interact. energy: -1.180
local terms energy: -177.453937
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -27.338
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: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -544.201332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.201332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.201332 (E_RNA)
where:
Base-Base interactions energy: -361.968
where: short stacking energy: -146.422
Base-Backbone interact. energy: 1.434
local terms energy: -183.667455
where:
bonds (distance) C4'-P energy: -36.602
bonds (distance) P-C4' energy: -40.244
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -32.789
tors. eta vs tors. theta energy: -29.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -224.415317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.415317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.415317 (E_RNA)
where:
Base-Base interactions energy: -89.486
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.747
local terms energy: -134.182671
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -38.880
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -888.819443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.819443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.819443 (E_RNA)
where:
Base-Base interactions energy: -609.178
where: short stacking energy: -256.139
Base-Backbone interact. energy: 0.409
local terms energy: -280.050632
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -70.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -904.696445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.696445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.696445 (E_RNA)
where:
Base-Base interactions energy: -621.527
where: short stacking energy: -269.462
Base-Backbone interact. energy: -1.696
local terms energy: -281.473497
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -63.063
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -72.650
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: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -804.118308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.118308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.118308 (E_RNA)
where:
Base-Base interactions energy: -550.836
where: short stacking energy: -242.245
Base-Backbone interact. energy: 1.113
local terms energy: -254.395390
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -52.011
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -59.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -812.861388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.861388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.861388 (E_RNA)
where:
Base-Base interactions energy: -559.798
where: short stacking energy: -250.864
Base-Backbone interact. energy: -2.136
local terms energy: -250.926903
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -47.087
flat angles C4'-P-C4' energy: -47.236
flat angles P-C4'-P energy: -34.841
tors. eta vs tors. theta energy: -69.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -762.342019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.342019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.342019 (E_RNA)
where:
Base-Base interactions energy: -536.770
where: short stacking energy: -228.780
Base-Backbone interact. energy: -0.608
local terms energy: -224.964221
where:
bonds (distance) C4'-P energy: -43.285
bonds (distance) P-C4' energy: -40.148
flat angles C4'-P-C4' energy: -51.895
flat angles P-C4'-P energy: -35.071
tors. eta vs tors. theta energy: -54.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -612.946482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.946482 (E_RNA)
where:
Base-Base interactions energy: -403.929
where: short stacking energy: -202.718
Base-Backbone interact. energy: -0.508
local terms energy: -208.510061
where:
bonds (distance) C4'-P energy: -34.154
bonds (distance) P-C4' energy: -55.934
flat angles C4'-P-C4' energy: -49.348
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -41.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -641.023598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.023598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.023598 (E_RNA)
where:
Base-Base interactions energy: -434.888
where: short stacking energy: -182.489
Base-Backbone interact. energy: -0.532
local terms energy: -205.603979
where:
bonds (distance) C4'-P energy: -39.091
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -42.270
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -541.552903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.552903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.552903 (E_RNA)
where:
Base-Base interactions energy: -344.094
where: short stacking energy: -157.001
Base-Backbone interact. energy: -0.232
local terms energy: -197.227692
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -53.134
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -493.120059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.120059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.120059 (E_RNA)
where:
Base-Base interactions energy: -318.189
where: short stacking energy: -132.077
Base-Backbone interact. energy: 1.321
local terms energy: -176.251948
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -54.949
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -243.059434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.059434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.059434 (E_RNA)
where:
Base-Base interactions energy: -120.405
where: short stacking energy: -78.572
Base-Backbone interact. energy: -2.861
local terms energy: -119.793688
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: 4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -922.840212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.840212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.840212 (E_RNA)
where:
Base-Base interactions energy: -641.839
where: short stacking energy: -273.181
Base-Backbone interact. energy: -2.048
local terms energy: -278.953180
where:
bonds (distance) C4'-P energy: -46.168
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -57.833
flat angles P-C4'-P energy: -46.963
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: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -864.132331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.132331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.132331 (E_RNA)
where:
Base-Base interactions energy: -603.010
where: short stacking energy: -244.149
Base-Backbone interact. energy: 1.506
local terms energy: -262.628040
where:
bonds (distance) C4'-P energy: -51.088
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -41.394
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -795.677236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.677236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.677236 (E_RNA)
where:
Base-Base interactions energy: -543.936
where: short stacking energy: -237.302
Base-Backbone interact. energy: -0.209
local terms energy: -251.532188
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -58.517
flat angles P-C4'-P energy: -34.653
tors. eta vs tors. theta energy: -65.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -784.790186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.790186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.790186 (E_RNA)
where:
Base-Base interactions energy: -528.693
where: short stacking energy: -229.736
Base-Backbone interact. energy: -0.479
local terms energy: -255.618454
where:
bonds (distance) C4'-P energy: -47.901
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -55.997
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -70.526
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: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -780.656899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.656899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.656899 (E_RNA)
where:
Base-Base interactions energy: -541.775
where: short stacking energy: -220.309
Base-Backbone interact. energy: -1.072
local terms energy: -237.810210
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -59.502
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -62.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -602.402385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.402385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.402385 (E_RNA)
where:
Base-Base interactions energy: -382.238
where: short stacking energy: -168.464
Base-Backbone interact. energy: -1.339
local terms energy: -218.825671
where:
bonds (distance) C4'-P energy: -45.194
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -660.910118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.910118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.910118 (E_RNA)
where:
Base-Base interactions energy: -452.011
where: short stacking energy: -189.802
Base-Backbone interact. energy: 2.639
local terms energy: -211.538372
where:
bonds (distance) C4'-P energy: -46.192
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -44.624
flat angles P-C4'-P energy: -28.734
tors. eta vs tors. theta energy: -47.557
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: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -511.496569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.496569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.496569 (E_RNA)
where:
Base-Base interactions energy: -329.130
where: short stacking energy: -150.634
Base-Backbone interact. energy: 2.475
local terms energy: -184.842213
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -51.182
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -28.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -488.487782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.487782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.487782 (E_RNA)
where:
Base-Base interactions energy: -307.186
where: short stacking energy: -136.670
Base-Backbone interact. energy: -0.708
local terms energy: -180.593052
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -42.606
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -296.867786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.867786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.867786 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -83.075
Base-Backbone interact. energy: 0.024
local terms energy: -158.955801
where:
bonds (distance) C4'-P energy: -49.872
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -40.674
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -1.403
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: 211
Temperature: 0.900000
Total energy: -925.057624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.057624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.057624 (E_RNA)
where:
Base-Base interactions energy: -635.153
where: short stacking energy: -273.521
Base-Backbone interact. energy: 0.819
local terms energy: -290.724173
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -76.124
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: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -839.719746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.719746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.719746 (E_RNA)
where:
Base-Base interactions energy: -590.540
where: short stacking energy: -231.336
Base-Backbone interact. energy: 1.238
local terms energy: -250.418475
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -56.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -811.365899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.365899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.365899 (E_RNA)
where:
Base-Base interactions energy: -547.260
where: short stacking energy: -236.985
Base-Backbone interact. energy: -1.075
local terms energy: -263.030781
where:
bonds (distance) C4'-P energy: -55.821
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -33.948
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -775.688381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.688381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.688381 (E_RNA)
where:
Base-Base interactions energy: -524.695
where: short stacking energy: -220.311
Base-Backbone interact. energy: -0.419
local terms energy: -250.575198
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -50.457
flat angles P-C4'-P energy: -34.916
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: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -771.490639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.490639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.490639 (E_RNA)
where:
Base-Base interactions energy: -514.476
where: short stacking energy: -236.451
Base-Backbone interact. energy: 0.498
local terms energy: -257.513102
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -52.595
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -31.139
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: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -675.807262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.807262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.807262 (E_RNA)
where:
Base-Base interactions energy: -440.325
where: short stacking energy: -203.535
Base-Backbone interact. energy: -1.933
local terms energy: -233.549671
where:
bonds (distance) C4'-P energy: -43.503
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -54.172
flat angles P-C4'-P energy: -42.379
tors. eta vs tors. theta energy: -47.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -621.996522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.996522 (E_RNA)
where:
Base-Base interactions energy: -413.131
where: short stacking energy: -197.162
Base-Backbone interact. energy: -0.499
local terms energy: -208.366323
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -42.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -539.309318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.309318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.309318 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -162.873
Base-Backbone interact. energy: -0.716
local terms energy: -188.332639
where:
bonds (distance) C4'-P energy: -49.386
bonds (distance) P-C4' energy: -38.937
flat angles C4'-P-C4' energy: -37.538
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -37.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -460.272721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.272721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.272721 (E_RNA)
where:
Base-Base interactions energy: -286.194
where: short stacking energy: -133.433
Base-Backbone interact. energy: -0.153
local terms energy: -173.925014
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -298.167057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.167057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.167057 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -76.475
Base-Backbone interact. energy: -2.333
local terms energy: -168.375390
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -43.896
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -910.853579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.853579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.853579 (E_RNA)
where:
Base-Base interactions energy: -648.401
where: short stacking energy: -278.251
Base-Backbone interact. energy: 0.951
local terms energy: -263.402708
where:
bonds (distance) C4'-P energy: -43.125
bonds (distance) P-C4' energy: -52.327
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -35.810
tors. eta vs tors. theta energy: -74.000
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: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -848.737327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.737327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.737327 (E_RNA)
where:
Base-Base interactions energy: -591.382
where: short stacking energy: -235.869
Base-Backbone interact. energy: -0.598
local terms energy: -256.757520
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -59.162
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -67.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -794.369939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.369939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.369939 (E_RNA)
where:
Base-Base interactions energy: -535.514
where: short stacking energy: -223.608
Base-Backbone interact. energy: -2.003
local terms energy: -256.853367
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -50.290
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -56.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -790.433716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.433716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.433716 (E_RNA)
where:
Base-Base interactions energy: -540.828
where: short stacking energy: -236.767
Base-Backbone interact. energy: 0.239
local terms energy: -249.844804
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -36.964
tors. eta vs tors. theta energy: -62.646
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: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -779.837015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.837015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.837015 (E_RNA)
where:
Base-Base interactions energy: -535.171
where: short stacking energy: -222.109
Base-Backbone interact. energy: -2.194
local terms energy: -242.472977
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -55.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -676.179203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.179203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.179203 (E_RNA)
where:
Base-Base interactions energy: -445.086
where: short stacking energy: -202.701
Base-Backbone interact. energy: -0.694
local terms energy: -230.399639
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -41.429
flat angles P-C4'-P energy: -27.948
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: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -620.664299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.664299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.664299 (E_RNA)
where:
Base-Base interactions energy: -399.604
where: short stacking energy: -180.720
Base-Backbone interact. energy: -0.693
local terms energy: -220.367591
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -519.888901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.888901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.888901 (E_RNA)
where:
Base-Base interactions energy: -331.285
where: short stacking energy: -156.513
Base-Backbone interact. energy: -0.857
local terms energy: -187.746761
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -35.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -432.192044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.192044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.192044 (E_RNA)
where:
Base-Base interactions energy: -232.508
where: short stacking energy: -110.669
Base-Backbone interact. energy: -2.011
local terms energy: -197.672545
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -44.627
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -272.917744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.917744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.917744 (E_RNA)
where:
Base-Base interactions energy: -129.652
where: short stacking energy: -82.519
Base-Backbone interact. energy: -0.579
local terms energy: -142.686626
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -41.142
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -904.484458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.484458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.484458 (E_RNA)
where:
Base-Base interactions energy: -629.661
where: short stacking energy: -279.960
Base-Backbone interact. energy: -2.833
local terms energy: -271.989669
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -60.521
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -78.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -876.279444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.279444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.279444 (E_RNA)
where:
Base-Base interactions energy: -602.917
where: short stacking energy: -236.002
Base-Backbone interact. energy: -0.474
local terms energy: -272.887762
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -54.082
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -67.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -810.753881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.753881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.753881 (E_RNA)
where:
Base-Base interactions energy: -536.443
where: short stacking energy: -245.551
Base-Backbone interact. energy: -2.173
local terms energy: -272.137813
where:
bonds (distance) C4'-P energy: -53.951
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -57.141
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -72.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -789.266582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.266582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.266582 (E_RNA)
where:
Base-Base interactions energy: -547.980
where: short stacking energy: -243.106
Base-Backbone interact. energy: 0.434
local terms energy: -241.720624
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -40.542
flat angles C4'-P-C4' energy: -51.835
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -63.727
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: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -710.397091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.397091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.397091 (E_RNA)
where:
Base-Base interactions energy: -475.853
where: short stacking energy: -207.883
Base-Backbone interact. energy: -0.292
local terms energy: -234.251664
where:
bonds (distance) C4'-P energy: -52.060
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -51.444
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -49.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -621.562277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.562277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.562277 (E_RNA)
where:
Base-Base interactions energy: -413.480
where: short stacking energy: -178.185
Base-Backbone interact. energy: -1.386
local terms energy: -206.696048
where:
bonds (distance) C4'-P energy: -44.992
bonds (distance) P-C4' energy: -39.387
flat angles C4'-P-C4' energy: -51.690
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -38.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -640.108082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.108082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.108082 (E_RNA)
where:
Base-Base interactions energy: -427.377
where: short stacking energy: -191.366
Base-Backbone interact. energy: -0.845
local terms energy: -211.886098
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -49.388
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -51.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -598.029646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.029646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.029646 (E_RNA)
where:
Base-Base interactions energy: -384.882
where: short stacking energy: -174.668
Base-Backbone interact. energy: -0.646
local terms energy: -212.501248
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -434.819346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.819346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.819346 (E_RNA)
where:
Base-Base interactions energy: -254.510
where: short stacking energy: -120.896
Base-Backbone interact. energy: -0.823
local terms energy: -179.486565
where:
bonds (distance) C4'-P energy: -30.889
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -30.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -224.696150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.696150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.696150 (E_RNA)
where:
Base-Base interactions energy: -67.649
where: short stacking energy: -51.275
Base-Backbone interact. energy: -2.656
local terms energy: -154.391187
where:
bonds (distance) C4'-P energy: -45.902
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: 10.248
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: 214
Temperature: 0.900000
Total energy: -914.155494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.155494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.155494 (E_RNA)
where:
Base-Base interactions energy: -629.473
where: short stacking energy: -258.370
Base-Backbone interact. energy: -0.521
local terms energy: -284.161539
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -58.698
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: -74.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -873.856260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.856260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.856260 (E_RNA)
where:
Base-Base interactions energy: -600.312
where: short stacking energy: -252.675
Base-Backbone interact. energy: -1.462
local terms energy: -272.082448
where:
bonds (distance) C4'-P energy: -55.475
bonds (distance) P-C4' energy: -49.330
flat angles C4'-P-C4' energy: -58.612
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -64.874
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: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -815.283466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.283466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.283466 (E_RNA)
where:
Base-Base interactions energy: -528.993
where: short stacking energy: -232.682
Base-Backbone interact. energy: -1.537
local terms energy: -284.753473
where:
bonds (distance) C4'-P energy: -57.224
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -63.000
flat angles P-C4'-P energy: -46.853
tors. eta vs tors. theta energy: -64.075
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: 214
Temperature: 1.050000
Total energy: -809.860345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.860345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.860345 (E_RNA)
where:
Base-Base interactions energy: -549.287
where: short stacking energy: -231.958
Base-Backbone interact. energy: -0.444
local terms energy: -260.129851
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -52.136
flat angles C4'-P-C4' energy: -57.052
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -70.631
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: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -728.389304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.389304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.389304 (E_RNA)
where:
Base-Base interactions energy: -493.533
where: short stacking energy: -209.645
Base-Backbone interact. energy: -0.208
local terms energy: -234.648144
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -45.902
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -638.572398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.572398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.572398 (E_RNA)
where:
Base-Base interactions energy: -414.270
where: short stacking energy: -199.952
Base-Backbone interact. energy: -0.199
local terms energy: -224.103995
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -50.396
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -53.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -598.672566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.672566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.672566 (E_RNA)
where:
Base-Base interactions energy: -389.558
where: short stacking energy: -175.633
Base-Backbone interact. energy: -2.886
local terms energy: -206.228098
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -45.838
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -42.995
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -633.617357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.617357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.617357 (E_RNA)
where:
Base-Base interactions energy: -415.435
where: short stacking energy: -179.162
Base-Backbone interact. energy: -1.794
local terms energy: -216.388850
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -39.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -457.608934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.608934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.608934 (E_RNA)
where:
Base-Base interactions energy: -267.380
where: short stacking energy: -133.491
Base-Backbone interact. energy: -0.505
local terms energy: -189.723988
where:
bonds (distance) C4'-P energy: -50.541
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -236.282963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.282963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.282963 (E_RNA)
where:
Base-Base interactions energy: -69.441
where: short stacking energy: -69.768
Base-Backbone interact. energy: -0.584
local terms energy: -166.257909
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -46.063
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -917.309212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.309212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.309212 (E_RNA)
where:
Base-Base interactions energy: -638.198
where: short stacking energy: -280.881
Base-Backbone interact. energy: -1.754
local terms energy: -277.357481
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -54.813
flat angles P-C4'-P energy: -42.501
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: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -872.370401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.370401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.370401 (E_RNA)
where:
Base-Base interactions energy: -588.522
where: short stacking energy: -269.234
Base-Backbone interact. energy: -0.724
local terms energy: -283.124445
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -79.357
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -848.413955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.413955 (E_RNA)
where:
Base-Base interactions energy: -594.340
where: short stacking energy: -235.523
Base-Backbone interact. energy: 0.539
local terms energy: -254.612748
where:
bonds (distance) C4'-P energy: -45.401
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -59.924
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -69.596
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -815.157562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.157562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.157562 (E_RNA)
where:
Base-Base interactions energy: -562.922
where: short stacking energy: -250.332
Base-Backbone interact. energy: -1.415
local terms energy: -250.820619
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -67.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -722.137284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.137284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.137284 (E_RNA)
where:
Base-Base interactions energy: -493.995
where: short stacking energy: -217.434
Base-Backbone interact. energy: 1.071
local terms energy: -229.214184
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -34.790
tors. eta vs tors. theta energy: -53.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -667.081079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.081079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.081079 (E_RNA)
where:
Base-Base interactions energy: -430.058
where: short stacking energy: -185.533
Base-Backbone interact. energy: -1.323
local terms energy: -235.699113
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -50.191
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -593.381280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.381280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.381280 (E_RNA)
where:
Base-Base interactions energy: -362.139
where: short stacking energy: -171.255
Base-Backbone interact. energy: -1.043
local terms energy: -230.199992
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -51.850
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -38.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -591.078916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.078916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.078916 (E_RNA)
where:
Base-Base interactions energy: -402.223
where: short stacking energy: -175.087
Base-Backbone interact. energy: 0.013
local terms energy: -188.868346
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -45.001
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -38.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -457.326861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.326861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.326861 (E_RNA)
where:
Base-Base interactions energy: -253.900
where: short stacking energy: -128.846
Base-Backbone interact. energy: -1.254
local terms energy: -202.172725
where:
bonds (distance) C4'-P energy: -47.931
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -47.339
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -30.844
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -232.615535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.615535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615535 (E_RNA)
where:
Base-Base interactions energy: -88.217
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.164
local terms energy: -144.235087
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -49.581
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: 5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -909.715919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.715919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.715919 (E_RNA)
where:
Base-Base interactions energy: -623.731
where: short stacking energy: -264.359
Base-Backbone interact. energy: 1.893
local terms energy: -287.877577
where:
bonds (distance) C4'-P energy: -48.433
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -57.898
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -75.207
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: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -868.836134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.836134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.836134 (E_RNA)
where:
Base-Base interactions energy: -583.869
where: short stacking energy: -272.149
Base-Backbone interact. energy: -0.316
local terms energy: -284.651452
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -49.564
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -82.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -874.640843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.640843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.640843 (E_RNA)
where:
Base-Base interactions energy: -606.797
where: short stacking energy: -247.800
Base-Backbone interact. energy: -0.990
local terms energy: -266.853910
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -66.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -776.989800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.989800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.989800 (E_RNA)
where:
Base-Base interactions energy: -525.696
where: short stacking energy: -222.960
Base-Backbone interact. energy: 0.206
local terms energy: -251.499552
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -57.898
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -58.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -694.643669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.643669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.643669 (E_RNA)
where:
Base-Base interactions energy: -471.900
where: short stacking energy: -202.311
Base-Backbone interact. energy: -0.455
local terms energy: -222.289090
where:
bonds (distance) C4'-P energy: -47.823
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -44.844
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -686.988044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.988044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.988044 (E_RNA)
where:
Base-Base interactions energy: -457.006
where: short stacking energy: -206.131
Base-Backbone interact. energy: 0.782
local terms energy: -230.763723
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -32.517
tors. eta vs tors. theta energy: -53.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -640.039938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.039938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.039938 (E_RNA)
where:
Base-Base interactions energy: -429.994
where: short stacking energy: -182.646
Base-Backbone interact. energy: -1.295
local terms energy: -208.751110
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -52.994
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -569.461921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.461921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.461921 (E_RNA)
where:
Base-Base interactions energy: -382.681
where: short stacking energy: -155.547
Base-Backbone interact. energy: -1.503
local terms energy: -185.277467
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -458.941364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.941364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.941364 (E_RNA)
where:
Base-Base interactions energy: -281.424
where: short stacking energy: -126.881
Base-Backbone interact. energy: 0.571
local terms energy: -178.088613
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -23.542
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -211.489015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.489015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.489015 (E_RNA)
where:
Base-Base interactions energy: -61.923
where: short stacking energy: -57.279
Base-Backbone interact. energy: -1.646
local terms energy: -147.919742
where:
bonds (distance) C4'-P energy: -47.169
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: 6.599
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: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -923.125188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.125188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.125188 (E_RNA)
where:
Base-Base interactions energy: -633.016
where: short stacking energy: -270.186
Base-Backbone interact. energy: -1.466
local terms energy: -288.643619
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -45.859
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: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -850.282013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.282013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.282013 (E_RNA)
where:
Base-Base interactions energy: -577.658
where: short stacking energy: -268.743
Base-Backbone interact. energy: -2.556
local terms energy: -270.068075
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -53.616
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -79.531
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -861.852939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.852939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.852939 (E_RNA)
where:
Base-Base interactions energy: -588.564
where: short stacking energy: -235.486
Base-Backbone interact. energy: 2.056
local terms energy: -275.344483
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -53.237
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -74.724
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: 217
Temperature: 1.050000
Total energy: -781.992518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.992518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.992518 (E_RNA)
where:
Base-Base interactions energy: -525.031
where: short stacking energy: -227.494
Base-Backbone interact. energy: 0.572
local terms energy: -257.533483
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -54.634
flat angles C4'-P-C4' energy: -63.133
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -61.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -720.505413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.505413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.505413 (E_RNA)
where:
Base-Base interactions energy: -457.285
where: short stacking energy: -209.493
Base-Backbone interact. energy: -2.084
local terms energy: -261.135804
where:
bonds (distance) C4'-P energy: -50.055
bonds (distance) P-C4' energy: -54.622
flat angles C4'-P-C4' energy: -58.817
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -56.185
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: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -699.653699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.653699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.653699 (E_RNA)
where:
Base-Base interactions energy: -471.443
where: short stacking energy: -190.622
Base-Backbone interact. energy: 0.764
local terms energy: -228.974125
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -52.434
flat angles P-C4'-P energy: -34.866
tors. eta vs tors. theta energy: -48.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -645.651398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.651398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.651398 (E_RNA)
where:
Base-Base interactions energy: -449.655
where: short stacking energy: -183.785
Base-Backbone interact. energy: 0.583
local terms energy: -196.579501
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -44.038
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -528.877070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.877070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.877070 (E_RNA)
where:
Base-Base interactions energy: -344.020
where: short stacking energy: -156.704
Base-Backbone interact. energy: 0.044
local terms energy: -184.900272
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -432.966820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.966820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.966820 (E_RNA)
where:
Base-Base interactions energy: -253.490
where: short stacking energy: -118.211
Base-Backbone interact. energy: -0.999
local terms energy: -178.478187
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -234.292055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.292055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.292055 (E_RNA)
where:
Base-Base interactions energy: -80.494
where: short stacking energy: -58.420
Base-Backbone interact. energy: -1.205
local terms energy: -152.592326
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -42.364
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: 6.015
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -919.148915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.148915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.148915 (E_RNA)
where:
Base-Base interactions energy: -637.295
where: short stacking energy: -270.092
Base-Backbone interact. energy: -3.052
local terms energy: -278.801516
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -39.245
tors. eta vs tors. theta energy: -75.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -836.893426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.893426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.893426 (E_RNA)
where:
Base-Base interactions energy: -573.533
where: short stacking energy: -278.318
Base-Backbone interact. energy: -0.599
local terms energy: -262.761230
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -79.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -862.557474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.557474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.557474 (E_RNA)
where:
Base-Base interactions energy: -611.901
where: short stacking energy: -251.630
Base-Backbone interact. energy: -0.265
local terms energy: -250.391692
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -46.483
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -68.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -789.581788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.581788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.581788 (E_RNA)
where:
Base-Base interactions energy: -524.905
where: short stacking energy: -236.367
Base-Backbone interact. energy: -0.307
local terms energy: -264.369086
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -58.580
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -715.922140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.922140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.922140 (E_RNA)
where:
Base-Base interactions energy: -469.133
where: short stacking energy: -220.500
Base-Backbone interact. energy: -1.223
local terms energy: -245.566377
where:
bonds (distance) C4'-P energy: -49.777
bonds (distance) P-C4' energy: -47.426
flat angles C4'-P-C4' energy: -52.410
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -58.290
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -701.199895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.199895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.199895 (E_RNA)
where:
Base-Base interactions energy: -478.668
where: short stacking energy: -201.488
Base-Backbone interact. energy: -0.374
local terms energy: -222.158194
where:
bonds (distance) C4'-P energy: -49.980
bonds (distance) P-C4' energy: -48.645
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -47.119
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: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -645.650708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.650708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.650708 (E_RNA)
where:
Base-Base interactions energy: -421.980
where: short stacking energy: -183.943
Base-Backbone interact. energy: -2.105
local terms energy: -221.565391
where:
bonds (distance) C4'-P energy: -47.306
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -49.288
flat angles P-C4'-P energy: -29.292
tors. eta vs tors. theta energy: -44.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -538.066827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.066827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.066827 (E_RNA)
where:
Base-Base interactions energy: -341.918
where: short stacking energy: -145.527
Base-Backbone interact. energy: -0.217
local terms energy: -195.931719
where:
bonds (distance) C4'-P energy: -43.351
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -531.677219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.677219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.677219 (E_RNA)
where:
Base-Base interactions energy: -326.606
where: short stacking energy: -162.152
Base-Backbone interact. energy: -1.050
local terms energy: -204.021561
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -43.814
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -37.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -218.857879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.857879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.857879 (E_RNA)
where:
Base-Base interactions energy: -77.620
where: short stacking energy: -66.823
Base-Backbone interact. energy: 6.091
local terms energy: -147.329390
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -48.176
flat angles C4'-P-C4' energy: -40.041
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -929.768737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.768737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.768737 (E_RNA)
where:
Base-Base interactions energy: -642.825
where: short stacking energy: -276.952
Base-Backbone interact. energy: -1.736
local terms energy: -285.208433
where:
bonds (distance) C4'-P energy: -49.873
bonds (distance) P-C4' energy: -44.158
flat angles C4'-P-C4' energy: -65.520
flat angles P-C4'-P energy: -49.386
tors. eta vs tors. theta energy: -76.271
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: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -900.064159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.064159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.064159 (E_RNA)
where:
Base-Base interactions energy: -623.369
where: short stacking energy: -264.254
Base-Backbone interact. energy: -1.573
local terms energy: -275.122670
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -68.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -807.826895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.826895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.826895 (E_RNA)
where:
Base-Base interactions energy: -540.499
where: short stacking energy: -255.163
Base-Backbone interact. energy: -1.469
local terms energy: -265.858376
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -73.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -797.476880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.476880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.476880 (E_RNA)
where:
Base-Base interactions energy: -556.406
where: short stacking energy: -226.472
Base-Backbone interact. energy: -0.862
local terms energy: -240.209733
where:
bonds (distance) C4'-P energy: -52.591
bonds (distance) P-C4' energy: -44.572
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -62.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -676.896541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.896541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.896541 (E_RNA)
where:
Base-Base interactions energy: -455.012
where: short stacking energy: -209.580
Base-Backbone interact. energy: -0.963
local terms energy: -220.921461
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -47.533
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -50.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -737.574606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.574606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.574606 (E_RNA)
where:
Base-Base interactions energy: -500.709
where: short stacking energy: -226.900
Base-Backbone interact. energy: -0.016
local terms energy: -236.848790
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -44.270
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -62.313
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: 219
Temperature: 1.200000
Total energy: -630.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.249660 (E_RNA)
where:
Base-Base interactions energy: -419.365
where: short stacking energy: -187.626
Base-Backbone interact. energy: -2.140
local terms energy: -208.744311
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -47.579
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -41.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -516.677717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.677717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.677717 (E_RNA)
where:
Base-Base interactions energy: -310.821
where: short stacking energy: -145.935
Base-Backbone interact. energy: -1.687
local terms energy: -204.169894
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -43.737
flat angles C4'-P-C4' energy: -44.201
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -562.673419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.673419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.673419 (E_RNA)
where:
Base-Base interactions energy: -384.157
where: short stacking energy: -174.844
Base-Backbone interact. energy: -0.041
local terms energy: -178.475646
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -39.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -216.410331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.410331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410331 (E_RNA)
where:
Base-Base interactions energy: -86.219
where: short stacking energy: -70.920
Base-Backbone interact. energy: 2.651
local terms energy: -132.841477
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: 17.008
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: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -893.562707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.562707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.562707 (E_RNA)
where:
Base-Base interactions energy: -607.138
where: short stacking energy: -260.131
Base-Backbone interact. energy: 0.508
local terms energy: -286.932262
where:
bonds (distance) C4'-P energy: -53.829
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -60.381
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -65.628
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: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -893.810173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.810173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.810173 (E_RNA)
where:
Base-Base interactions energy: -612.869
where: short stacking energy: -264.809
Base-Backbone interact. energy: -1.052
local terms energy: -279.888804
where:
bonds (distance) C4'-P energy: -52.299
bonds (distance) P-C4' energy: -55.139
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -81.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -794.257479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.257479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.257479 (E_RNA)
where:
Base-Base interactions energy: -540.885
where: short stacking energy: -250.503
Base-Backbone interact. energy: -1.532
local terms energy: -251.840716
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -36.300
tors. eta vs tors. theta energy: -71.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -784.062761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.062761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.062761 (E_RNA)
where:
Base-Base interactions energy: -531.304
where: short stacking energy: -218.629
Base-Backbone interact. energy: 2.813
local terms energy: -255.572043
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -65.266
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: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -726.471779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.471779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.471779 (E_RNA)
where:
Base-Base interactions energy: -478.412
where: short stacking energy: -196.806
Base-Backbone interact. energy: 1.879
local terms energy: -249.939021
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -38.675
tors. eta vs tors. theta energy: -57.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -674.629182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.629182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.629182 (E_RNA)
where:
Base-Base interactions energy: -435.848
where: short stacking energy: -211.852
Base-Backbone interact. energy: 0.608
local terms energy: -239.389428
where:
bonds (distance) C4'-P energy: -52.927
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -49.603
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: 220
Temperature: 1.200000
Total energy: -651.333610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.333610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.333610 (E_RNA)
where:
Base-Base interactions energy: -426.648
where: short stacking energy: -187.367
Base-Backbone interact. energy: 0.105
local terms energy: -224.791151
where:
bonds (distance) C4'-P energy: -37.710
bonds (distance) P-C4' energy: -50.769
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -46.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -548.986058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.986058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.986058 (E_RNA)
where:
Base-Base interactions energy: -350.029
where: short stacking energy: -159.469
Base-Backbone interact. energy: -0.070
local terms energy: -198.887043
where:
bonds (distance) C4'-P energy: -41.489
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -46.958
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -562.592887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.592887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.592887 (E_RNA)
where:
Base-Base interactions energy: -368.431
where: short stacking energy: -145.796
Base-Backbone interact. energy: 2.754
local terms energy: -196.915182
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -224.142269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142269 (E_RNA)
where:
Base-Base interactions energy: -88.622
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.642
local terms energy: -134.879177
where:
bonds (distance) C4'-P energy: -40.721
bonds (distance) P-C4' energy: -51.845
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: 9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -897.746237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.746237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.746237 (E_RNA)
where:
Base-Base interactions energy: -617.903
where: short stacking energy: -252.923
Base-Backbone interact. energy: -1.888
local terms energy: -277.955858
where:
bonds (distance) C4'-P energy: -53.699
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -58.855
flat angles P-C4'-P energy: -45.982
tors. eta vs tors. theta energy: -66.554
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -910.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.176376 (E_RNA)
where:
Base-Base interactions energy: -623.372
where: short stacking energy: -264.542
Base-Backbone interact. energy: -2.480
local terms energy: -284.324495
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -73.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -820.822766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.822766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.822766 (E_RNA)
where:
Base-Base interactions energy: -549.716
where: short stacking energy: -255.724
Base-Backbone interact. energy: -0.752
local terms energy: -270.354473
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -73.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -805.310781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.310781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.310781 (E_RNA)
where:
Base-Base interactions energy: -549.967
where: short stacking energy: -236.291
Base-Backbone interact. energy: -1.642
local terms energy: -253.701729
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -56.625
flat angles C4'-P-C4' energy: -53.864
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -57.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -693.448390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.448390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.448390 (E_RNA)
where:
Base-Base interactions energy: -456.546
where: short stacking energy: -197.338
Base-Backbone interact. energy: -1.457
local terms energy: -235.445531
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -677.922884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.922884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.922884 (E_RNA)
where:
Base-Base interactions energy: -460.299
where: short stacking energy: -201.846
Base-Backbone interact. energy: 0.199
local terms energy: -217.822335
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -53.465
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -640.847126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.847126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.847126 (E_RNA)
where:
Base-Base interactions energy: -430.759
where: short stacking energy: -181.916
Base-Backbone interact. energy: 0.381
local terms energy: -210.468919
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -57.835
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -40.224
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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -589.525124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.525124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.525124 (E_RNA)
where:
Base-Base interactions energy: -388.534
where: short stacking energy: -169.311
Base-Backbone interact. energy: -1.059
local terms energy: -199.932110
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -50.808
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -29.699
tors. eta vs tors. theta energy: -40.073
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: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -524.437070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.437070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.437070 (E_RNA)
where:
Base-Base interactions energy: -330.257
where: short stacking energy: -159.703
Base-Backbone interact. energy: -1.105
local terms energy: -193.074155
where:
bonds (distance) C4'-P energy: -41.529
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -44.414
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -31.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -219.778321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.778321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.778321 (E_RNA)
where:
Base-Base interactions energy: -66.210
where: short stacking energy: -48.787
Base-Backbone interact. energy: -1.352
local terms energy: -152.216170
where:
bonds (distance) C4'-P energy: -45.444
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -883.671726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.671726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.671726 (E_RNA)
where:
Base-Base interactions energy: -596.229
where: short stacking energy: -254.230
Base-Backbone interact. energy: -3.254
local terms energy: -284.188894
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -65.770
flat angles P-C4'-P energy: -40.203
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -895.730820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.730820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.730820 (E_RNA)
where:
Base-Base interactions energy: -624.762
where: short stacking energy: -268.098
Base-Backbone interact. energy: -0.043
local terms energy: -270.925917
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -47.262
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -74.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -825.120578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.120578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.120578 (E_RNA)
where:
Base-Base interactions energy: -567.750
where: short stacking energy: -242.415
Base-Backbone interact. energy: -1.650
local terms energy: -255.721105
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -60.570
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -65.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -808.756652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.756652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.756652 (E_RNA)
where:
Base-Base interactions energy: -546.495
where: short stacking energy: -246.784
Base-Backbone interact. energy: -0.773
local terms energy: -261.489521
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -46.817
flat angles C4'-P-C4' energy: -49.281
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -696.314555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.314555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.314555 (E_RNA)
where:
Base-Base interactions energy: -447.462
where: short stacking energy: -202.305
Base-Backbone interact. energy: 0.900
local terms energy: -249.752508
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -45.315
flat angles C4'-P-C4' energy: -56.480
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -54.794
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: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -706.143600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.143600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.143600 (E_RNA)
where:
Base-Base interactions energy: -473.918
where: short stacking energy: -208.504
Base-Backbone interact. energy: -0.172
local terms energy: -232.053344
where:
bonds (distance) C4'-P energy: -53.872
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: -49.181
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: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -599.587623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.587623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.587623 (E_RNA)
where:
Base-Base interactions energy: -378.955
where: short stacking energy: -167.234
Base-Backbone interact. energy: -0.444
local terms energy: -220.187881
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -36.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -585.480501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.480501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.480501 (E_RNA)
where:
Base-Base interactions energy: -390.403
where: short stacking energy: -149.992
Base-Backbone interact. energy: -0.740
local terms energy: -194.337079
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -504.477873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.477873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.477873 (E_RNA)
where:
Base-Base interactions energy: -342.313
where: short stacking energy: -145.408
Base-Backbone interact. energy: -0.455
local terms energy: -161.709447
where:
bonds (distance) C4'-P energy: -38.502
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -220.841971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.841971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.841971 (E_RNA)
where:
Base-Base interactions energy: -66.973
where: short stacking energy: -42.561
Base-Backbone interact. energy: 6.401
local terms energy: -160.269720
where:
bonds (distance) C4'-P energy: -48.015
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -885.155749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.155749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.155749 (E_RNA)
where:
Base-Base interactions energy: -610.225
where: short stacking energy: -255.012
Base-Backbone interact. energy: -1.633
local terms energy: -273.297874
where:
bonds (distance) C4'-P energy: -59.725
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -895.547746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.547746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.547746 (E_RNA)
where:
Base-Base interactions energy: -641.062
where: short stacking energy: -269.026
Base-Backbone interact. energy: -0.684
local terms energy: -253.802161
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -62.697
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -69.140
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: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -825.253555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.253555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.253555 (E_RNA)
where:
Base-Base interactions energy: -558.923
where: short stacking energy: -231.798
Base-Backbone interact. energy: -1.183
local terms energy: -265.147616
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -71.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -796.448025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.448025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.448025 (E_RNA)
where:
Base-Base interactions energy: -538.328
where: short stacking energy: -255.356
Base-Backbone interact. energy: 1.667
local terms energy: -259.786745
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -71.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -663.380464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.380464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.380464 (E_RNA)
where:
Base-Base interactions energy: -436.625
where: short stacking energy: -188.478
Base-Backbone interact. energy: -2.266
local terms energy: -224.489503
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -25.447
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: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -706.314768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.314768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.314768 (E_RNA)
where:
Base-Base interactions energy: -482.542
where: short stacking energy: -213.732
Base-Backbone interact. energy: 0.351
local terms energy: -224.123896
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -41.445
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -61.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -642.831170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.831170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.831170 (E_RNA)
where:
Base-Base interactions energy: -439.596
where: short stacking energy: -206.809
Base-Backbone interact. energy: 0.435
local terms energy: -203.669890
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -50.779
flat angles P-C4'-P energy: -29.538
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: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -611.220192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.220192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.220192 (E_RNA)
where:
Base-Base interactions energy: -403.192
where: short stacking energy: -161.437
Base-Backbone interact. energy: 0.477
local terms energy: -208.504607
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -34.901
tors. eta vs tors. theta energy: -35.525
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: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -514.951906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.951906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.951906 (E_RNA)
where:
Base-Base interactions energy: -331.139
where: short stacking energy: -132.165
Base-Backbone interact. energy: -1.069
local terms energy: -182.743929
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -42.087
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -235.443180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.443180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.443180 (E_RNA)
where:
Base-Base interactions energy: -112.301
where: short stacking energy: -74.924
Base-Backbone interact. energy: 1.146
local terms energy: -124.288165
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: 1.879
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -900.092328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.092328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.092328 (E_RNA)
where:
Base-Base interactions energy: -605.773
where: short stacking energy: -259.482
Base-Backbone interact. energy: -4.088
local terms energy: -290.231556
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -81.675
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: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -873.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.645151 (E_RNA)
where:
Base-Base interactions energy: -585.108
where: short stacking energy: -255.734
Base-Backbone interact. energy: -1.230
local terms energy: -287.307660
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -60.437
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -69.965
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -809.541811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.541811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.541811 (E_RNA)
where:
Base-Base interactions energy: -542.100
where: short stacking energy: -219.427
Base-Backbone interact. energy: -1.828
local terms energy: -265.613603
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -58.782
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: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -749.603246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.603246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.603246 (E_RNA)
where:
Base-Base interactions energy: -508.917
where: short stacking energy: -217.569
Base-Backbone interact. energy: -0.919
local terms energy: -239.767752
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -46.476
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -685.874055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.874055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.874055 (E_RNA)
where:
Base-Base interactions energy: -458.274
where: short stacking energy: -203.049
Base-Backbone interact. energy: -0.648
local terms energy: -226.951884
where:
bonds (distance) C4'-P energy: -47.680
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -54.082
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -52.900
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: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -661.855685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.855685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.855685 (E_RNA)
where:
Base-Base interactions energy: -427.218
where: short stacking energy: -193.482
Base-Backbone interact. energy: -0.622
local terms energy: -234.015436
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -53.635
flat angles C4'-P-C4' energy: -44.679
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -621.714759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.714759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.714759 (E_RNA)
where:
Base-Base interactions energy: -426.814
where: short stacking energy: -186.616
Base-Backbone interact. energy: -0.017
local terms energy: -194.883656
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -620.186841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.186841 (E_RNA)
where:
Base-Base interactions energy: -401.993
where: short stacking energy: -165.933
Base-Backbone interact. energy: -0.712
local terms energy: -217.481163
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -46.699
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -48.660
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -535.857375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.857375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.857375 (E_RNA)
where:
Base-Base interactions energy: -350.141
where: short stacking energy: -154.507
Base-Backbone interact. energy: -0.185
local terms energy: -185.531410
where:
bonds (distance) C4'-P energy: -40.474
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -46.011
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -35.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -229.311818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.311818 (E_RNA)
where:
Base-Base interactions energy: -90.656
where: short stacking energy: -64.998
Base-Backbone interact. energy: 1.239
local terms energy: -139.894750
where:
bonds (distance) C4'-P energy: -45.230
bonds (distance) P-C4' energy: -49.225
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: 14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -890.839814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.839814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.839814 (E_RNA)
where:
Base-Base interactions energy: -618.846
where: short stacking energy: -271.326
Base-Backbone interact. energy: -1.557
local terms energy: -270.436549
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -33.231
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: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -891.334666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.334666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.334666 (E_RNA)
where:
Base-Base interactions energy: -621.109
where: short stacking energy: -254.417
Base-Backbone interact. energy: -1.307
local terms energy: -268.918902
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -73.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -821.417146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.417146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.417146 (E_RNA)
where:
Base-Base interactions energy: -555.246
where: short stacking energy: -236.777
Base-Backbone interact. energy: -0.945
local terms energy: -265.225930
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -57.256
flat angles C4'-P-C4' energy: -55.716
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -62.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -786.319967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.319967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.319967 (E_RNA)
where:
Base-Base interactions energy: -539.776
where: short stacking energy: -221.668
Base-Backbone interact. energy: -0.863
local terms energy: -245.680852
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -59.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -724.852891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.852891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.852891 (E_RNA)
where:
Base-Base interactions energy: -482.540
where: short stacking energy: -224.561
Base-Backbone interact. energy: 4.441
local terms energy: -246.754253
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -56.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -660.610930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.610930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.610930 (E_RNA)
where:
Base-Base interactions energy: -438.094
where: short stacking energy: -200.439
Base-Backbone interact. energy: -1.042
local terms energy: -221.474758
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -50.409
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -52.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -631.346684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.346684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.346684 (E_RNA)
where:
Base-Base interactions energy: -398.842
where: short stacking energy: -188.727
Base-Backbone interact. energy: -0.003
local terms energy: -232.501511
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -50.226
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: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -645.675384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.675384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.675384 (E_RNA)
where:
Base-Base interactions energy: -422.358
where: short stacking energy: -190.335
Base-Backbone interact. energy: -0.122
local terms energy: -223.195119
where:
bonds (distance) C4'-P energy: -43.858
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -46.214
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -550.076180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.076180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.076180 (E_RNA)
where:
Base-Base interactions energy: -360.933
where: short stacking energy: -149.871
Base-Backbone interact. energy: -0.340
local terms energy: -188.803131
where:
bonds (distance) C4'-P energy: -29.993
bonds (distance) P-C4' energy: -47.391
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -30.364
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -219.674675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.674675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.674675 (E_RNA)
where:
Base-Base interactions energy: -82.379
where: short stacking energy: -65.547
Base-Backbone interact. energy: 0.892
local terms energy: -138.187862
where:
bonds (distance) C4'-P energy: -39.990
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: 9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -913.873745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.873745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.873745 (E_RNA)
where:
Base-Base interactions energy: -640.353
where: short stacking energy: -274.539
Base-Backbone interact. energy: -0.732
local terms energy: -272.787831
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -59.648
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -70.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -894.014286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.014286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.014286 (E_RNA)
where:
Base-Base interactions energy: -613.432
where: short stacking energy: -259.415
Base-Backbone interact. energy: -1.340
local terms energy: -279.242436
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -62.600
flat angles P-C4'-P energy: -44.212
tors. eta vs tors. theta energy: -72.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -833.062299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.062299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.062299 (E_RNA)
where:
Base-Base interactions energy: -573.730
where: short stacking energy: -253.462
Base-Backbone interact. energy: -1.306
local terms energy: -258.026743
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -54.657
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -67.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -792.476589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.476589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.476589 (E_RNA)
where:
Base-Base interactions energy: -545.964
where: short stacking energy: -225.135
Base-Backbone interact. energy: -0.454
local terms energy: -246.058447
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -38.483
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: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -718.139119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.139119 (E_RNA)
where:
Base-Base interactions energy: -486.172
where: short stacking energy: -222.428
Base-Backbone interact. energy: -0.078
local terms energy: -231.889666
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -54.066
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -59.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -637.613721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.613721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.613721 (E_RNA)
where:
Base-Base interactions energy: -418.669
where: short stacking energy: -186.653
Base-Backbone interact. energy: -1.621
local terms energy: -217.323722
where:
bonds (distance) C4'-P energy: -50.090
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -29.197
tors. eta vs tors. theta energy: -45.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -667.085223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.085223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.085223 (E_RNA)
where:
Base-Base interactions energy: -457.986
where: short stacking energy: -198.081
Base-Backbone interact. energy: -0.455
local terms energy: -208.644046
where:
bonds (distance) C4'-P energy: -47.302
bonds (distance) P-C4' energy: -39.449
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -46.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -568.634764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.634764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.634764 (E_RNA)
where:
Base-Base interactions energy: -362.942
where: short stacking energy: -163.083
Base-Backbone interact. energy: -0.505
local terms energy: -205.188224
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -41.981
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: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -534.453606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.453606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.453606 (E_RNA)
where:
Base-Base interactions energy: -347.881
where: short stacking energy: -149.182
Base-Backbone interact. energy: 3.021
local terms energy: -189.593355
where:
bonds (distance) C4'-P energy: -49.227
bonds (distance) P-C4' energy: -40.960
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -27.415
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -218.045144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.045144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.045144 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -68.331
Base-Backbone interact. energy: 0.266
local terms energy: -139.151433
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -42.012
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: 4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -902.790487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.790487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.790487 (E_RNA)
where:
Base-Base interactions energy: -623.035
where: short stacking energy: -268.640
Base-Backbone interact. energy: -1.102
local terms energy: -278.653560
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -59.609
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -78.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -881.349758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.349758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.349758 (E_RNA)
where:
Base-Base interactions energy: -600.820
where: short stacking energy: -254.054
Base-Backbone interact. energy: -1.679
local terms energy: -278.850736
where:
bonds (distance) C4'-P energy: -50.592
bonds (distance) P-C4' energy: -53.429
flat angles C4'-P-C4' energy: -59.419
flat angles P-C4'-P energy: -47.527
tors. eta vs tors. theta energy: -67.884
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: 227
Temperature: 1.000000
Total energy: -842.674208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.674208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.674208 (E_RNA)
where:
Base-Base interactions energy: -584.992
where: short stacking energy: -248.901
Base-Backbone interact. energy: -2.061
local terms energy: -255.621513
where:
bonds (distance) C4'-P energy: -49.220
bonds (distance) P-C4' energy: -51.390
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -64.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -776.669414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.669414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.669414 (E_RNA)
where:
Base-Base interactions energy: -518.788
where: short stacking energy: -225.276
Base-Backbone interact. energy: -1.088
local terms energy: -256.793893
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -53.523
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -68.040
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: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -725.380024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.380024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.380024 (E_RNA)
where:
Base-Base interactions energy: -478.770
where: short stacking energy: -227.180
Base-Backbone interact. energy: -0.606
local terms energy: -246.004351
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -47.508
flat angles C4'-P-C4' energy: -54.086
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -59.993
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: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -694.956447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.956447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.956447 (E_RNA)
where:
Base-Base interactions energy: -459.587
where: short stacking energy: -200.423
Base-Backbone interact. energy: -0.876
local terms energy: -234.493362
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -46.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -653.772438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.772438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.772438 (E_RNA)
where:
Base-Base interactions energy: -437.221
where: short stacking energy: -191.104
Base-Backbone interact. energy: 0.334
local terms energy: -216.884958
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -53.641
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -570.248684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.248684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.248684 (E_RNA)
where:
Base-Base interactions energy: -379.633
where: short stacking energy: -168.677
Base-Backbone interact. energy: -0.300
local terms energy: -190.314892
where:
bonds (distance) C4'-P energy: -41.400
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -535.800195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.800195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.800195 (E_RNA)
where:
Base-Base interactions energy: -325.020
where: short stacking energy: -153.856
Base-Backbone interact. energy: 1.754
local terms energy: -212.534556
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -36.038
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: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -228.714250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.714250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.714250 (E_RNA)
where:
Base-Base interactions energy: -84.217
where: short stacking energy: -73.262
Base-Backbone interact. energy: -0.379
local terms energy: -144.117563
where:
bonds (distance) C4'-P energy: -43.781
bonds (distance) P-C4' energy: -38.078
flat angles C4'-P-C4' energy: -41.732
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: 1.138
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: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -888.701232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.701232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.701232 (E_RNA)
where:
Base-Base interactions energy: -606.693
where: short stacking energy: -274.092
Base-Backbone interact. energy: 0.089
local terms energy: -282.097341
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -71.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -896.964220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.964220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.964220 (E_RNA)
where:
Base-Base interactions energy: -612.494
where: short stacking energy: -267.869
Base-Backbone interact. energy: -2.715
local terms energy: -281.755061
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -841.774964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.774964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.774964 (E_RNA)
where:
Base-Base interactions energy: -579.071
where: short stacking energy: -233.206
Base-Backbone interact. energy: 0.051
local terms energy: -262.755834
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -60.891
flat angles P-C4'-P energy: -39.252
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: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -803.251848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.251848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.251848 (E_RNA)
where:
Base-Base interactions energy: -549.539
where: short stacking energy: -252.927
Base-Backbone interact. energy: -0.466
local terms energy: -253.247465
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -75.879
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: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -717.325541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.325541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.325541 (E_RNA)
where:
Base-Base interactions energy: -475.963
where: short stacking energy: -214.646
Base-Backbone interact. energy: -0.396
local terms energy: -240.966165
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -63.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -696.964659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.964659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.964659 (E_RNA)
where:
Base-Base interactions energy: -486.943
where: short stacking energy: -200.686
Base-Backbone interact. energy: 0.267
local terms energy: -210.288677
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -52.325
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -40.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -646.070194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.070194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.070194 (E_RNA)
where:
Base-Base interactions energy: -437.788
where: short stacking energy: -195.757
Base-Backbone interact. energy: -0.080
local terms energy: -208.201454
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -27.366
tors. eta vs tors. theta energy: -49.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -520.704443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.704443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.704443 (E_RNA)
where:
Base-Base interactions energy: -327.761
where: short stacking energy: -141.497
Base-Backbone interact. energy: 1.240
local terms energy: -194.183971
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -34.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -534.207816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.207816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.207816 (E_RNA)
where:
Base-Base interactions energy: -325.528
where: short stacking energy: -147.344
Base-Backbone interact. energy: 1.317
local terms energy: -209.997101
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -50.199
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -227.583716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.583716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.583716 (E_RNA)
where:
Base-Base interactions energy: -69.154
where: short stacking energy: -55.931
Base-Backbone interact. energy: -1.558
local terms energy: -156.871461
where:
bonds (distance) C4'-P energy: -50.244
bonds (distance) P-C4' energy: -44.631
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -905.127394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.127394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.127394 (E_RNA)
where:
Base-Base interactions energy: -610.750
where: short stacking energy: -261.593
Base-Backbone interact. energy: -1.883
local terms energy: -292.493784
where:
bonds (distance) C4'-P energy: -57.237
bonds (distance) P-C4' energy: -62.713
flat angles C4'-P-C4' energy: -58.294
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -73.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -888.892840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.892840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.892840 (E_RNA)
where:
Base-Base interactions energy: -626.564
where: short stacking energy: -255.611
Base-Backbone interact. energy: -0.971
local terms energy: -261.357337
where:
bonds (distance) C4'-P energy: -53.075
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -50.204
flat angles P-C4'-P energy: -33.282
tors. eta vs tors. theta energy: -70.174
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -819.493737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.493737 (E_RNA)
where:
Base-Base interactions energy: -566.157
where: short stacking energy: -243.667
Base-Backbone interact. energy: -2.534
local terms energy: -250.802688
where:
bonds (distance) C4'-P energy: -55.019
bonds (distance) P-C4' energy: -46.009
flat angles C4'-P-C4' energy: -50.207
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -61.281
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -816.062851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.062851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.062851 (E_RNA)
where:
Base-Base interactions energy: -552.307
where: short stacking energy: -253.819
Base-Backbone interact. energy: -0.049
local terms energy: -263.707045
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -75.331
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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -724.625235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.625235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.625235 (E_RNA)
where:
Base-Base interactions energy: -492.839
where: short stacking energy: -208.425
Base-Backbone interact. energy: -0.495
local terms energy: -231.292051
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -52.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -727.572284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.572284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.572284 (E_RNA)
where:
Base-Base interactions energy: -486.108
where: short stacking energy: -216.079
Base-Backbone interact. energy: 0.929
local terms energy: -242.393132
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -62.395
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -631.351893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.351893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.351893 (E_RNA)
where:
Base-Base interactions energy: -417.073
where: short stacking energy: -179.104
Base-Backbone interact. energy: -0.453
local terms energy: -213.825393
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -54.806
flat angles P-C4'-P energy: -30.091
tors. eta vs tors. theta energy: -42.222
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: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -570.890903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.890903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.890903 (E_RNA)
where:
Base-Base interactions energy: -382.984
where: short stacking energy: -158.862
Base-Backbone interact. energy: -0.557
local terms energy: -187.349322
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -555.394297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.394297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.394297 (E_RNA)
where:
Base-Base interactions energy: -347.213
where: short stacking energy: -163.861
Base-Backbone interact. energy: -0.658
local terms energy: -207.523342
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -52.344
flat angles C4'-P-C4' energy: -45.014
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -228.345159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.345159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.345159 (E_RNA)
where:
Base-Base interactions energy: -73.577
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.817
local terms energy: -153.950957
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -59.801
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -24.680
tors. eta vs tors. theta energy: 10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -909.764519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.764519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.764519 (E_RNA)
where:
Base-Base interactions energy: -634.705
where: short stacking energy: -256.510
Base-Backbone interact. energy: -0.983
local terms energy: -274.076953
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -68.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -894.426248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.426248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.426248 (E_RNA)
where:
Base-Base interactions energy: -601.200
where: short stacking energy: -263.936
Base-Backbone interact. energy: -1.542
local terms energy: -291.684315
where:
bonds (distance) C4'-P energy: -54.159
bonds (distance) P-C4' energy: -57.189
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -77.380
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: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -821.841609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.841609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.841609 (E_RNA)
where:
Base-Base interactions energy: -565.081
where: short stacking energy: -236.023
Base-Backbone interact. energy: -1.402
local terms energy: -255.358697
where:
bonds (distance) C4'-P energy: -51.392
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -52.409
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -795.650828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.650828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.650828 (E_RNA)
where:
Base-Base interactions energy: -535.354
where: short stacking energy: -234.977
Base-Backbone interact. energy: 0.492
local terms energy: -260.789440
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -51.001
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -70.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -736.586769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.586769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.586769 (E_RNA)
where:
Base-Base interactions energy: -503.925
where: short stacking energy: -220.571
Base-Backbone interact. energy: -0.822
local terms energy: -231.839493
where:
bonds (distance) C4'-P energy: -40.608
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -50.144
flat angles P-C4'-P energy: -36.376
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: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -713.724543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.724543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.724543 (E_RNA)
where:
Base-Base interactions energy: -483.388
where: short stacking energy: -215.710
Base-Backbone interact. energy: -1.849
local terms energy: -228.486795
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -47.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -651.461719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.461719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.461719 (E_RNA)
where:
Base-Base interactions energy: -424.234
where: short stacking energy: -193.401
Base-Backbone interact. energy: -1.107
local terms energy: -226.120400
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -48.298
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -579.218489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.218489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.218489 (E_RNA)
where:
Base-Base interactions energy: -374.633
where: short stacking energy: -162.637
Base-Backbone interact. energy: -0.873
local terms energy: -203.712197
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -39.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -547.874662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.874662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.874662 (E_RNA)
where:
Base-Base interactions energy: -350.406
where: short stacking energy: -144.333
Base-Backbone interact. energy: -2.210
local terms energy: -195.259213
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: -29.246
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -244.079435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.079435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.079435 (E_RNA)
where:
Base-Base interactions energy: -108.519
where: short stacking energy: -77.696
Base-Backbone interact. energy: -0.356
local terms energy: -135.204522
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -44.406
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: 16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -919.689837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.689837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.689837 (E_RNA)
where:
Base-Base interactions energy: -634.741
where: short stacking energy: -271.821
Base-Backbone interact. energy: -0.771
local terms energy: -284.177413
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -889.816554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.816554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.816554 (E_RNA)
where:
Base-Base interactions energy: -613.411
where: short stacking energy: -262.279
Base-Backbone interact. energy: -0.439
local terms energy: -275.966066
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -74.400
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: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -801.529529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.529529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.529529 (E_RNA)
where:
Base-Base interactions energy: -561.080
where: short stacking energy: -231.740
Base-Backbone interact. energy: -0.734
local terms energy: -239.716096
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -48.357
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -54.554
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -802.073010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.073010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.073010 (E_RNA)
where:
Base-Base interactions energy: -528.604
where: short stacking energy: -239.701
Base-Backbone interact. energy: -0.876
local terms energy: -272.593196
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -43.352
tors. eta vs tors. theta energy: -74.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -729.018509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.018509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.018509 (E_RNA)
where:
Base-Base interactions energy: -486.234
where: short stacking energy: -212.167
Base-Backbone interact. energy: 0.045
local terms energy: -242.830244
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -61.610
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -725.303860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.303860 (E_RNA)
where:
Base-Base interactions energy: -488.271
where: short stacking energy: -208.419
Base-Backbone interact. energy: -1.217
local terms energy: -235.816398
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -54.812
flat angles C4'-P-C4' energy: -55.340
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -57.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -651.203180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.203180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.203180 (E_RNA)
where:
Base-Base interactions energy: -435.091
where: short stacking energy: -191.066
Base-Backbone interact. energy: -0.924
local terms energy: -215.188241
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -49.416
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: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -565.981064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.981064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.981064 (E_RNA)
where:
Base-Base interactions energy: -371.743
where: short stacking energy: -166.697
Base-Backbone interact. energy: 3.035
local terms energy: -197.272405
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -34.686
tors. eta vs tors. theta energy: -27.589
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: 231
Temperature: 1.300000
Total energy: -552.758695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.758695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.758695 (E_RNA)
where:
Base-Base interactions energy: -362.153
where: short stacking energy: -150.919
Base-Backbone interact. energy: 1.304
local terms energy: -191.908809
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -42.716
flat angles C4'-P-C4' energy: -46.429
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -30.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -231.507025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.507025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.507025 (E_RNA)
where:
Base-Base interactions energy: -92.030
where: short stacking energy: -86.955
Base-Backbone interact. energy: 1.426
local terms energy: -140.903709
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -3.871
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: 232
Temperature: 0.900000
Total energy: -915.378008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.378008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.378008 (E_RNA)
where:
Base-Base interactions energy: -621.675
where: short stacking energy: -251.941
Base-Backbone interact. energy: 0.236
local terms energy: -293.939667
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -60.009
flat angles P-C4'-P energy: -52.343
tors. eta vs tors. theta energy: -75.774
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: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -882.927428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.927428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.927428 (E_RNA)
where:
Base-Base interactions energy: -611.697
where: short stacking energy: -250.641
Base-Backbone interact. energy: -1.172
local terms energy: -270.058702
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -35.615
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: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -830.424624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.424624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.424624 (E_RNA)
where:
Base-Base interactions energy: -558.446
where: short stacking energy: -245.130
Base-Backbone interact. energy: -1.088
local terms energy: -270.890098
where:
bonds (distance) C4'-P energy: -52.346
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: -75.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -792.870935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.870935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.870935 (E_RNA)
where:
Base-Base interactions energy: -536.181
where: short stacking energy: -245.557
Base-Backbone interact. energy: -0.676
local terms energy: -256.013358
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -66.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -753.397639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.397639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.397639 (E_RNA)
where:
Base-Base interactions energy: -505.508
where: short stacking energy: -209.371
Base-Backbone interact. energy: -0.194
local terms energy: -247.695281
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -55.534
flat angles C4'-P-C4' energy: -50.392
flat angles P-C4'-P energy: -40.581
tors. eta vs tors. theta energy: -67.148
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -685.431028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.431028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.431028 (E_RNA)
where:
Base-Base interactions energy: -451.795
where: short stacking energy: -203.818
Base-Backbone interact. energy: -1.046
local terms energy: -232.590026
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -44.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -637.204766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.204766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.204766 (E_RNA)
where:
Base-Base interactions energy: -427.229
where: short stacking energy: -190.283
Base-Backbone interact. energy: -0.886
local terms energy: -209.089434
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -44.417
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -48.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -557.303956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.303956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.303956 (E_RNA)
where:
Base-Base interactions energy: -359.965
where: short stacking energy: -157.322
Base-Backbone interact. energy: -0.482
local terms energy: -196.857257
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -44.047
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -36.261
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: 232
Temperature: 1.300000
Total energy: -548.222502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.222502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.222502 (E_RNA)
where:
Base-Base interactions energy: -338.042
where: short stacking energy: -155.668
Base-Backbone interact. energy: 1.072
local terms energy: -211.253073
where:
bonds (distance) C4'-P energy: -45.938
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -42.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -226.562341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.562341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.562341 (E_RNA)
where:
Base-Base interactions energy: -83.661
where: short stacking energy: -78.230
Base-Backbone interact. energy: 5.422
local terms energy: -148.323196
where:
bonds (distance) C4'-P energy: -45.012
bonds (distance) P-C4' energy: -39.278
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -928.894891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.894891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.894891 (E_RNA)
where:
Base-Base interactions energy: -644.387
where: short stacking energy: -276.091
Base-Backbone interact. energy: 0.393
local terms energy: -284.900941
where:
bonds (distance) C4'-P energy: -49.220
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -76.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -888.315725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.315725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.315725 (E_RNA)
where:
Base-Base interactions energy: -611.683
where: short stacking energy: -254.071
Base-Backbone interact. energy: -1.229
local terms energy: -275.403841
where:
bonds (distance) C4'-P energy: -43.848
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -63.306
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -69.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -825.922880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.922880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.922880 (E_RNA)
where:
Base-Base interactions energy: -543.293
where: short stacking energy: -255.042
Base-Backbone interact. energy: -1.226
local terms energy: -281.403664
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -55.134
flat angles C4'-P-C4' energy: -58.800
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -74.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -794.078970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.078970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.078970 (E_RNA)
where:
Base-Base interactions energy: -542.992
where: short stacking energy: -232.302
Base-Backbone interact. energy: -1.802
local terms energy: -249.284913
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -58.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -736.017314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.017314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.017314 (E_RNA)
where:
Base-Base interactions energy: -494.407
where: short stacking energy: -230.205
Base-Backbone interact. energy: -0.979
local terms energy: -240.631825
where:
bonds (distance) C4'-P energy: -41.641
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -57.258
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -703.294102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.294102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.294102 (E_RNA)
where:
Base-Base interactions energy: -482.881
where: short stacking energy: -212.540
Base-Backbone interact. energy: -0.962
local terms energy: -219.450450
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -58.317
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -42.509
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -670.539919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.539919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.539919 (E_RNA)
where:
Base-Base interactions energy: -445.891
where: short stacking energy: -196.828
Base-Backbone interact. energy: -0.985
local terms energy: -223.663540
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -55.126
flat angles C4'-P-C4' energy: -47.031
flat angles P-C4'-P energy: -31.584
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: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -568.220367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.220367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.220367 (E_RNA)
where:
Base-Base interactions energy: -364.245
where: short stacking energy: -160.974
Base-Backbone interact. energy: -0.342
local terms energy: -203.633253
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -34.174
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: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -565.710499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.710499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.710499 (E_RNA)
where:
Base-Base interactions energy: -368.925
where: short stacking energy: -171.818
Base-Backbone interact. energy: -0.830
local terms energy: -195.955982
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -45.167
flat angles C4'-P-C4' energy: -49.575
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -45.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -232.271246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.271246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.271246 (E_RNA)
where:
Base-Base interactions energy: -84.480
where: short stacking energy: -71.309
Base-Backbone interact. energy: 1.537
local terms energy: -149.328759
where:
bonds (distance) C4'-P energy: -39.852
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -931.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.714311 (E_RNA)
where:
Base-Base interactions energy: -634.690
where: short stacking energy: -269.753
Base-Backbone interact. energy: -0.725
local terms energy: -296.298380
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -58.048
flat angles C4'-P-C4' energy: -63.456
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -895.568557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.568557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.568557 (E_RNA)
where:
Base-Base interactions energy: -616.102
where: short stacking energy: -265.140
Base-Backbone interact. energy: -0.905
local terms energy: -278.561568
where:
bonds (distance) C4'-P energy: -49.733
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -56.679
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -75.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -831.856613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.856613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.856613 (E_RNA)
where:
Base-Base interactions energy: -575.105
where: short stacking energy: -248.806
Base-Backbone interact. energy: 5.779
local terms energy: -262.529671
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -64.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -794.057003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.057003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.057003 (E_RNA)
where:
Base-Base interactions energy: -559.071
where: short stacking energy: -263.723
Base-Backbone interact. energy: -1.484
local terms energy: -233.502514
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -47.706
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -64.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -751.427792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.427792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.427792 (E_RNA)
where:
Base-Base interactions energy: -511.027
where: short stacking energy: -207.779
Base-Backbone interact. energy: 0.973
local terms energy: -241.373408
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -47.023
flat angles C4'-P-C4' energy: -58.224
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -61.671
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: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -707.554245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.554245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.554245 (E_RNA)
where:
Base-Base interactions energy: -478.446
where: short stacking energy: -215.048
Base-Backbone interact. energy: -0.863
local terms energy: -228.245050
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -53.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -645.761134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.761134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.761134 (E_RNA)
where:
Base-Base interactions energy: -420.626
where: short stacking energy: -186.486
Base-Backbone interact. energy: 1.995
local terms energy: -227.130217
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -57.200
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -43.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -535.543725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.543725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.543725 (E_RNA)
where:
Base-Base interactions energy: -349.292
where: short stacking energy: -147.339
Base-Backbone interact. energy: -1.801
local terms energy: -184.450521
where:
bonds (distance) C4'-P energy: -36.334
bonds (distance) P-C4' energy: -46.893
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -33.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -566.845638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.845638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.845638 (E_RNA)
where:
Base-Base interactions energy: -375.836
where: short stacking energy: -171.906
Base-Backbone interact. energy: -0.074
local terms energy: -190.935351
where:
bonds (distance) C4'-P energy: -35.898
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -231.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.203805 (E_RNA)
where:
Base-Base interactions energy: -67.523
where: short stacking energy: -63.029
Base-Backbone interact. energy: 1.792
local terms energy: -165.472704
where:
bonds (distance) C4'-P energy: -48.011
bonds (distance) P-C4' energy: -46.767
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -915.172986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.172986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.172986 (E_RNA)
where:
Base-Base interactions energy: -626.338
where: short stacking energy: -261.664
Base-Backbone interact. energy: 1.311
local terms energy: -290.145292
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -78.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -904.984268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.984268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.984268 (E_RNA)
where:
Base-Base interactions energy: -631.365
where: short stacking energy: -272.142
Base-Backbone interact. energy: -1.101
local terms energy: -272.517984
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -73.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -831.957799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.957799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.957799 (E_RNA)
where:
Base-Base interactions energy: -568.034
where: short stacking energy: -246.662
Base-Backbone interact. energy: -1.333
local terms energy: -262.591178
where:
bonds (distance) C4'-P energy: -49.065
bonds (distance) P-C4' energy: -57.534
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -34.366
tors. eta vs tors. theta energy: -66.364
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: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -794.121277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.121277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.121277 (E_RNA)
where:
Base-Base interactions energy: -526.684
where: short stacking energy: -232.676
Base-Backbone interact. energy: 0.097
local terms energy: -267.534303
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -60.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -725.368998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.368998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.368998 (E_RNA)
where:
Base-Base interactions energy: -495.052
where: short stacking energy: -216.948
Base-Backbone interact. energy: -1.547
local terms energy: -228.769737
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -58.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -711.285610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.285610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.285610 (E_RNA)
where:
Base-Base interactions energy: -480.822
where: short stacking energy: -205.529
Base-Backbone interact. energy: -0.144
local terms energy: -230.319733
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -47.322
flat angles C4'-P-C4' energy: -53.461
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -623.913255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.913255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.913255 (E_RNA)
where:
Base-Base interactions energy: -419.638
where: short stacking energy: -184.723
Base-Backbone interact. energy: -1.786
local terms energy: -202.489088
where:
bonds (distance) C4'-P energy: -37.718
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -34.959
tors. eta vs tors. theta energy: -38.892
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: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -563.109102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.109102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.109102 (E_RNA)
where:
Base-Base interactions energy: -358.039
where: short stacking energy: -159.640
Base-Backbone interact. energy: -1.189
local terms energy: -203.881552
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -44.131
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -565.455162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.455162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.455162 (E_RNA)
where:
Base-Base interactions energy: -378.341
where: short stacking energy: -155.499
Base-Backbone interact. energy: -2.697
local terms energy: -184.417370
where:
bonds (distance) C4'-P energy: -45.062
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -31.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -246.874729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.874729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.874729 (E_RNA)
where:
Base-Base interactions energy: -98.734
where: short stacking energy: -68.944
Base-Backbone interact. energy: 1.732
local terms energy: -149.873232
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -38.961
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -4.825
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: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -927.106640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.106640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.106640 (E_RNA)
where:
Base-Base interactions energy: -652.209
where: short stacking energy: -277.293
Base-Backbone interact. energy: -0.170
local terms energy: -274.728011
where:
bonds (distance) C4'-P energy: -50.659
bonds (distance) P-C4' energy: -51.940
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -78.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -898.889330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.889330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.889330 (E_RNA)
where:
Base-Base interactions energy: -633.664
where: short stacking energy: -255.886
Base-Backbone interact. energy: -1.435
local terms energy: -263.789724
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -71.756
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -842.352255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.352255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.352255 (E_RNA)
where:
Base-Base interactions energy: -585.911
where: short stacking energy: -251.128
Base-Backbone interact. energy: -0.188
local terms energy: -256.252610
where:
bonds (distance) C4'-P energy: -50.864
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -56.112
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -66.314
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: 236
Temperature: 1.050000
Total energy: -800.404373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.404373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.404373 (E_RNA)
where:
Base-Base interactions energy: -530.953
where: short stacking energy: -244.408
Base-Backbone interact. energy: -1.039
local terms energy: -268.411599
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -52.555
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -41.070
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: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -747.574726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.574726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.574726 (E_RNA)
where:
Base-Base interactions energy: -507.172
where: short stacking energy: -217.528
Base-Backbone interact. energy: -1.051
local terms energy: -239.351019
where:
bonds (distance) C4'-P energy: -51.336
bonds (distance) P-C4' energy: -44.925
flat angles C4'-P-C4' energy: -55.585
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -54.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -717.517435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.517435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.517435 (E_RNA)
where:
Base-Base interactions energy: -483.426
where: short stacking energy: -203.987
Base-Backbone interact. energy: -2.024
local terms energy: -232.067368
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -50.787
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -45.328
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -677.442506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.442506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.442506 (E_RNA)
where:
Base-Base interactions energy: -437.275
where: short stacking energy: -195.195
Base-Backbone interact. energy: -2.318
local terms energy: -237.849679
where:
bonds (distance) C4'-P energy: -49.516
bonds (distance) P-C4' energy: -55.477
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -51.131
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -560.476901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.476901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.476901 (E_RNA)
where:
Base-Base interactions energy: -367.873
where: short stacking energy: -181.410
Base-Backbone interact. energy: 1.025
local terms energy: -193.628591
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -41.830
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -35.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -593.702062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.702062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.702062 (E_RNA)
where:
Base-Base interactions energy: -386.117
where: short stacking energy: -171.802
Base-Backbone interact. energy: 0.308
local terms energy: -207.892468
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -49.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -239.377040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.377040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.377040 (E_RNA)
where:
Base-Base interactions energy: -76.278
where: short stacking energy: -75.153
Base-Backbone interact. energy: -1.118
local terms energy: -161.981955
where:
bonds (distance) C4'-P energy: -42.456
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -42.535
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -4.127
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: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -903.652602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.652602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.652602 (E_RNA)
where:
Base-Base interactions energy: -634.872
where: short stacking energy: -263.995
Base-Backbone interact. energy: 1.248
local terms energy: -270.028601
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -53.917
flat angles P-C4'-P energy: -33.805
tors. eta vs tors. theta energy: -70.600
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: 237
Temperature: 0.950000
Total energy: -891.764457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.764457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.764457 (E_RNA)
where:
Base-Base interactions energy: -613.610
where: short stacking energy: -264.864
Base-Backbone interact. energy: -1.240
local terms energy: -276.914862
where:
bonds (distance) C4'-P energy: -51.178
bonds (distance) P-C4' energy: -60.164
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -70.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -832.191386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.191386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.191386 (E_RNA)
where:
Base-Base interactions energy: -570.294
where: short stacking energy: -251.051
Base-Backbone interact. energy: 0.445
local terms energy: -262.342745
where:
bonds (distance) C4'-P energy: -42.366
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -74.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -765.358342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.358342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.358342 (E_RNA)
where:
Base-Base interactions energy: -514.975
where: short stacking energy: -231.920
Base-Backbone interact. energy: -0.685
local terms energy: -249.699110
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -56.874
flat angles P-C4'-P energy: -36.194
tors. eta vs tors. theta energy: -61.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -771.013514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.013514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.013514 (E_RNA)
where:
Base-Base interactions energy: -516.060
where: short stacking energy: -214.519
Base-Backbone interact. energy: -1.457
local terms energy: -253.496385
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -47.972
flat angles C4'-P-C4' energy: -54.281
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -63.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -690.938990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.938990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.938990 (E_RNA)
where:
Base-Base interactions energy: -463.289
where: short stacking energy: -186.279
Base-Backbone interact. energy: -2.000
local terms energy: -225.650138
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -682.979161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.979161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.979161 (E_RNA)
where:
Base-Base interactions energy: -470.697
where: short stacking energy: -204.586
Base-Backbone interact. energy: -1.293
local terms energy: -210.989342
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -47.477
flat angles P-C4'-P energy: -28.680
tors. eta vs tors. theta energy: -55.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -573.636187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.636187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.636187 (E_RNA)
where:
Base-Base interactions energy: -380.479
where: short stacking energy: -176.037
Base-Backbone interact. energy: 0.966
local terms energy: -194.122925
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -49.111
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: -38.492
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: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -543.597872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.597872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.597872 (E_RNA)
where:
Base-Base interactions energy: -367.573
where: short stacking energy: -146.977
Base-Backbone interact. energy: 3.693
local terms energy: -179.718082
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -55.619
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -33.939
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: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -215.168426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.168426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.168426 (E_RNA)
where:
Base-Base interactions energy: -57.681
where: short stacking energy: -56.700
Base-Backbone interact. energy: 2.805
local terms energy: -160.292582
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -44.838
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: 8.360
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: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -911.031076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.031076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.031076 (E_RNA)
where:
Base-Base interactions energy: -633.511
where: short stacking energy: -274.873
Base-Backbone interact. energy: -1.241
local terms energy: -276.278663
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -75.866
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: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -883.865244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.865244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.865244 (E_RNA)
where:
Base-Base interactions energy: -619.903
where: short stacking energy: -238.202
Base-Backbone interact. energy: -1.275
local terms energy: -262.687008
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -54.561
flat angles C4'-P-C4' energy: -50.530
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -69.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -849.341765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.341765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.341765 (E_RNA)
where:
Base-Base interactions energy: -586.148
where: short stacking energy: -249.450
Base-Backbone interact. energy: -0.431
local terms energy: -262.763051
where:
bonds (distance) C4'-P energy: -42.661
bonds (distance) P-C4' energy: -55.420
flat angles C4'-P-C4' energy: -56.909
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -69.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -754.376759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.376759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.376759 (E_RNA)
where:
Base-Base interactions energy: -513.917
where: short stacking energy: -233.768
Base-Backbone interact. energy: -0.957
local terms energy: -239.501906
where:
bonds (distance) C4'-P energy: -42.026
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -49.177
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -58.475
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: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -767.173731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.173731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.173731 (E_RNA)
where:
Base-Base interactions energy: -510.428
where: short stacking energy: -219.503
Base-Backbone interact. energy: -0.234
local terms energy: -256.512249
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -66.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -703.389930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.389930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.389930 (E_RNA)
where:
Base-Base interactions energy: -482.727
where: short stacking energy: -196.655
Base-Backbone interact. energy: -1.335
local terms energy: -219.327647
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -54.100
flat angles P-C4'-P energy: -25.706
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: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -681.904097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.904097 (E_RNA)
where:
Base-Base interactions energy: -470.937
where: short stacking energy: -209.981
Base-Backbone interact. energy: 1.544
local terms energy: -212.510346
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -24.559
tors. eta vs tors. theta energy: -42.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -589.054236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.054236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.054236 (E_RNA)
where:
Base-Base interactions energy: -383.953
where: short stacking energy: -167.318
Base-Backbone interact. energy: -1.317
local terms energy: -203.783824
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -43.887
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -29.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -535.184085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.184085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.184085 (E_RNA)
where:
Base-Base interactions energy: -338.957
where: short stacking energy: -152.595
Base-Backbone interact. energy: 1.474
local terms energy: -197.700687
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -36.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -225.272935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.272935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.272935 (E_RNA)
where:
Base-Base interactions energy: -80.899
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.512
local terms energy: -143.861439
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -53.566
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -909.728538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.728538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.728538 (E_RNA)
where:
Base-Base interactions energy: -635.966
where: short stacking energy: -262.133
Base-Backbone interact. energy: 1.020
local terms energy: -274.782986
where:
bonds (distance) C4'-P energy: -48.175
bonds (distance) P-C4' energy: -47.237
flat angles C4'-P-C4' energy: -64.029
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -71.903
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: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -886.106717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.106717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.106717 (E_RNA)
where:
Base-Base interactions energy: -612.267
where: short stacking energy: -255.393
Base-Backbone interact. energy: 0.414
local terms energy: -274.253313
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -51.324
flat angles C4'-P-C4' energy: -62.916
flat angles P-C4'-P energy: -42.115
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -838.583531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.583531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.583531 (E_RNA)
where:
Base-Base interactions energy: -584.364
where: short stacking energy: -225.638
Base-Backbone interact. energy: -0.520
local terms energy: -253.699518
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -47.133
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -37.152
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: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -788.284907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.284907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.284907 (E_RNA)
where:
Base-Base interactions energy: -535.925
where: short stacking energy: -240.275
Base-Backbone interact. energy: -0.741
local terms energy: -251.619676
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -55.574
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -61.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -776.052183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.052183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.052183 (E_RNA)
where:
Base-Base interactions energy: -519.670
where: short stacking energy: -234.358
Base-Backbone interact. energy: -0.418
local terms energy: -255.963978
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -49.838
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -66.793
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: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -714.014588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.014588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.014588 (E_RNA)
where:
Base-Base interactions energy: -480.169
where: short stacking energy: -201.824
Base-Backbone interact. energy: -1.076
local terms energy: -232.768848
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -50.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -657.561631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.561631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.561631 (E_RNA)
where:
Base-Base interactions energy: -444.316
where: short stacking energy: -187.350
Base-Backbone interact. energy: -0.626
local terms energy: -212.619165
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -52.305
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -39.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -624.419487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.419487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.419487 (E_RNA)
where:
Base-Base interactions energy: -409.010
where: short stacking energy: -177.048
Base-Backbone interact. energy: -0.506
local terms energy: -214.903245
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -32.747
tors. eta vs tors. theta energy: -46.721
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: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -554.964292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.964292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.964292 (E_RNA)
where:
Base-Base interactions energy: -361.715
where: short stacking energy: -163.445
Base-Backbone interact. energy: -1.848
local terms energy: -191.401124
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -40.744
flat angles C4'-P-C4' energy: -52.149
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -33.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -251.885662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.885662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.885662 (E_RNA)
where:
Base-Base interactions energy: -93.275
where: short stacking energy: -58.476
Base-Backbone interact. energy: -1.508
local terms energy: -157.102805
where:
bonds (distance) C4'-P energy: -38.025
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -890.862625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.862625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.862625 (E_RNA)
where:
Base-Base interactions energy: -623.067
where: short stacking energy: -262.896
Base-Backbone interact. energy: -1.223
local terms energy: -266.572357
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -54.250
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -71.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -894.892468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.892468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.892468 (E_RNA)
where:
Base-Base interactions energy: -624.274
where: short stacking energy: -278.369
Base-Backbone interact. energy: 1.796
local terms energy: -272.414081
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -55.743
flat angles P-C4'-P energy: -42.284
tors. eta vs tors. theta energy: -73.872
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: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -854.638576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.638576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.638576 (E_RNA)
where:
Base-Base interactions energy: -576.055
where: short stacking energy: -255.569
Base-Backbone interact. energy: -1.802
local terms energy: -276.780726
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -63.929
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -72.899
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -811.559839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.559839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.559839 (E_RNA)
where:
Base-Base interactions energy: -550.064
where: short stacking energy: -241.354
Base-Backbone interact. energy: -2.541
local terms energy: -258.955081
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -66.618
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: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -757.530312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.530312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.530312 (E_RNA)
where:
Base-Base interactions energy: -520.299
where: short stacking energy: -220.775
Base-Backbone interact. energy: -2.137
local terms energy: -235.094549
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -53.160
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -55.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -690.436774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.436774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.436774 (E_RNA)
where:
Base-Base interactions energy: -476.305
where: short stacking energy: -210.145
Base-Backbone interact. energy: -1.026
local terms energy: -213.105922
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -50.368
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -51.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -628.305193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.305193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.305193 (E_RNA)
where:
Base-Base interactions energy: -430.626
where: short stacking energy: -179.440
Base-Backbone interact. energy: -0.534
local terms energy: -197.144952
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -35.044
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -41.086
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: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -580.929330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.929330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.929330 (E_RNA)
where:
Base-Base interactions energy: -368.431
where: short stacking energy: -170.236
Base-Backbone interact. energy: 1.055
local terms energy: -213.553471
where:
bonds (distance) C4'-P energy: -49.870
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -43.106
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: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -556.625556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.625556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.625556 (E_RNA)
where:
Base-Base interactions energy: -350.822
where: short stacking energy: -145.244
Base-Backbone interact. energy: -1.699
local terms energy: -204.104512
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -38.180
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: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -272.770125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.770125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.770125 (E_RNA)
where:
Base-Base interactions energy: -129.967
where: short stacking energy: -83.045
Base-Backbone interact. energy: 1.409
local terms energy: -144.212028
where:
bonds (distance) C4'-P energy: -41.552
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: 9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -905.990415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.990415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.990415 (E_RNA)
where:
Base-Base interactions energy: -631.425
where: short stacking energy: -266.543
Base-Backbone interact. energy: -2.145
local terms energy: -272.420789
where:
bonds (distance) C4'-P energy: -55.678
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -67.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -883.935039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.935039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.935039 (E_RNA)
where:
Base-Base interactions energy: -619.053
where: short stacking energy: -262.620
Base-Backbone interact. energy: -1.237
local terms energy: -263.645207
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -61.363
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -66.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -830.813304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.813304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.813304 (E_RNA)
where:
Base-Base interactions energy: -558.207
where: short stacking energy: -242.295
Base-Backbone interact. energy: -1.778
local terms energy: -270.828132
where:
bonds (distance) C4'-P energy: -54.462
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -59.617
flat angles P-C4'-P energy: -40.111
tors. eta vs tors. theta energy: -65.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -819.220782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.220782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.220782 (E_RNA)
where:
Base-Base interactions energy: -573.860
where: short stacking energy: -251.517
Base-Backbone interact. energy: -1.957
local terms energy: -243.404443
where:
bonds (distance) C4'-P energy: -37.171
bonds (distance) P-C4' energy: -42.504
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -73.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -741.838794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.838794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.838794 (E_RNA)
where:
Base-Base interactions energy: -510.361
where: short stacking energy: -212.116
Base-Backbone interact. energy: -0.541
local terms energy: -230.936677
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -46.851
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -47.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -695.269518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.269518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.269518 (E_RNA)
where:
Base-Base interactions energy: -443.020
where: short stacking energy: -193.421
Base-Backbone interact. energy: -1.477
local terms energy: -250.772339
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -52.496
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -45.514
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -605.835917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.835917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.835917 (E_RNA)
where:
Base-Base interactions energy: -390.661
where: short stacking energy: -164.503
Base-Backbone interact. energy: 0.688
local terms energy: -215.862361
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -47.808
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -37.219
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -601.061925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.061925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.061925 (E_RNA)
where:
Base-Base interactions energy: -385.264
where: short stacking energy: -177.342
Base-Backbone interact. energy: 0.876
local terms energy: -216.674192
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -52.040
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -36.911
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: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -530.202955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.202955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.202955 (E_RNA)
where:
Base-Base interactions energy: -330.584
where: short stacking energy: -154.964
Base-Backbone interact. energy: 0.813
local terms energy: -200.431305
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -49.861
flat angles P-C4'-P energy: -40.516
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: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -217.703300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703300 (E_RNA)
where:
Base-Base interactions energy: -81.404
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.130
local terms energy: -136.169678
where:
bonds (distance) C4'-P energy: -41.915
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -43.848
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: 8.458
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: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -924.510809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.510809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.510809 (E_RNA)
where:
Base-Base interactions energy: -637.392
where: short stacking energy: -275.369
Base-Backbone interact. energy: -2.258
local terms energy: -284.860963
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -46.837
tors. eta vs tors. theta energy: -72.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -895.338195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.338195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.338195 (E_RNA)
where:
Base-Base interactions energy: -621.539
where: short stacking energy: -269.746
Base-Backbone interact. energy: 1.200
local terms energy: -274.998807
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -52.056
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -78.919
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: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -832.463014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.463014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.463014 (E_RNA)
where:
Base-Base interactions energy: -576.680
where: short stacking energy: -243.138
Base-Backbone interact. energy: -1.111
local terms energy: -254.671916
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -62.562
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -70.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -771.942614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.942614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.942614 (E_RNA)
where:
Base-Base interactions energy: -530.741
where: short stacking energy: -228.277
Base-Backbone interact. energy: 0.419
local terms energy: -241.620500
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -57.068
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -59.235
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: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -787.929352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.929352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.929352 (E_RNA)
where:
Base-Base interactions energy: -536.052
where: short stacking energy: -234.314
Base-Backbone interact. energy: -1.542
local terms energy: -250.335586
where:
bonds (distance) C4'-P energy: -38.150
bonds (distance) P-C4' energy: -59.077
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -59.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -758.168641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.168641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.168641 (E_RNA)
where:
Base-Base interactions energy: -520.737
where: short stacking energy: -220.029
Base-Backbone interact. energy: -1.258
local terms energy: -236.173151
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -48.788
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -60.041
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -561.027115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.027115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.027115 (E_RNA)
where:
Base-Base interactions energy: -365.878
where: short stacking energy: -170.505
Base-Backbone interact. energy: 0.025
local terms energy: -195.173445
where:
bonds (distance) C4'-P energy: -47.364
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -37.585
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -35.126
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: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -590.884853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.884853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.884853 (E_RNA)
where:
Base-Base interactions energy: -389.513
where: short stacking energy: -162.652
Base-Backbone interact. energy: -0.582
local terms energy: -200.789922
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -49.285
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -41.656
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -508.966899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.966899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.966899 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -152.701
Base-Backbone interact. energy: -0.009
local terms energy: -203.520604
where:
bonds (distance) C4'-P energy: -40.413
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -40.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -225.982442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982442 (E_RNA)
where:
Base-Base interactions energy: -77.223
where: short stacking energy: -58.125
Base-Backbone interact. energy: 3.644
local terms energy: -152.403578
where:
bonds (distance) C4'-P energy: -49.664
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -910.448718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.448718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.448718 (E_RNA)
where:
Base-Base interactions energy: -624.451
where: short stacking energy: -270.783
Base-Backbone interact. energy: -1.227
local terms energy: -284.770502
where:
bonds (distance) C4'-P energy: -52.177
bonds (distance) P-C4' energy: -53.092
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -78.460
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: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -876.838150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.838150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.838150 (E_RNA)
where:
Base-Base interactions energy: -603.622
where: short stacking energy: -253.204
Base-Backbone interact. energy: 0.064
local terms energy: -273.279588
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -81.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -833.532237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.532237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.532237 (E_RNA)
where:
Base-Base interactions energy: -580.654
where: short stacking energy: -249.925
Base-Backbone interact. energy: -1.937
local terms energy: -250.940736
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -73.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -768.558977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.558977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.558977 (E_RNA)
where:
Base-Base interactions energy: -527.031
where: short stacking energy: -225.371
Base-Backbone interact. energy: -0.596
local terms energy: -240.932329
where:
bonds (distance) C4'-P energy: -52.715
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -54.338
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: 243
Temperature: 1.100000
Total energy: -735.344768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.344768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.344768 (E_RNA)
where:
Base-Base interactions energy: -486.436
where: short stacking energy: -215.738
Base-Backbone interact. energy: -1.317
local terms energy: -247.591902
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -60.272
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -60.445
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: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -775.418126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.418126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.418126 (E_RNA)
where:
Base-Base interactions energy: -523.859
where: short stacking energy: -243.120
Base-Backbone interact. energy: -0.774
local terms energy: -250.784944
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -55.111
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -71.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -529.693489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.693489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.693489 (E_RNA)
where:
Base-Base interactions energy: -346.156
where: short stacking energy: -138.782
Base-Backbone interact. energy: 0.330
local terms energy: -183.866932
where:
bonds (distance) C4'-P energy: -38.604
bonds (distance) P-C4' energy: -49.346
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -22.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -570.111644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.111644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.111644 (E_RNA)
where:
Base-Base interactions energy: -364.830
where: short stacking energy: -159.646
Base-Backbone interact. energy: -1.307
local terms energy: -203.974683
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -34.992
tors. eta vs tors. theta energy: -36.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -486.954867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.954867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.954867 (E_RNA)
where:
Base-Base interactions energy: -324.805
where: short stacking energy: -162.017
Base-Backbone interact. energy: 7.911
local terms energy: -170.060893
where:
bonds (distance) C4'-P energy: -43.481
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -35.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -226.328679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.328679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.328679 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -76.260
Base-Backbone interact. energy: -0.856
local terms energy: -126.975489
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: 13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -906.195042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.195042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.195042 (E_RNA)
where:
Base-Base interactions energy: -623.239
where: short stacking energy: -260.847
Base-Backbone interact. energy: 2.644
local terms energy: -285.600608
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -56.958
flat angles C4'-P-C4' energy: -61.413
flat angles P-C4'-P energy: -42.912
tors. eta vs tors. theta energy: -72.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -880.054815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.054815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.054815 (E_RNA)
where:
Base-Base interactions energy: -611.988
where: short stacking energy: -262.294
Base-Backbone interact. energy: -1.593
local terms energy: -266.474473
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -73.434
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -836.289999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.289999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.289999 (E_RNA)
where:
Base-Base interactions energy: -574.939
where: short stacking energy: -257.383
Base-Backbone interact. energy: -0.124
local terms energy: -261.226967
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -50.874
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -71.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -764.450265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.450265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.450265 (E_RNA)
where:
Base-Base interactions energy: -526.360
where: short stacking energy: -216.815
Base-Backbone interact. energy: 0.232
local terms energy: -238.321710
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -50.752
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: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -755.710990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.710990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.710990 (E_RNA)
where:
Base-Base interactions energy: -517.815
where: short stacking energy: -226.837
Base-Backbone interact. energy: -1.477
local terms energy: -236.418080
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -44.806
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -35.606
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -647.557884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.557884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.557884 (E_RNA)
where:
Base-Base interactions energy: -437.201
where: short stacking energy: -190.154
Base-Backbone interact. energy: -0.171
local terms energy: -210.185645
where:
bonds (distance) C4'-P energy: -46.570
bonds (distance) P-C4' energy: -46.181
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -41.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -631.435477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.435477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.435477 (E_RNA)
where:
Base-Base interactions energy: -435.165
where: short stacking energy: -178.850
Base-Backbone interact. energy: 2.151
local terms energy: -198.421422
where:
bonds (distance) C4'-P energy: -43.350
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -37.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -567.499164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.499164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.499164 (E_RNA)
where:
Base-Base interactions energy: -358.797
where: short stacking energy: -146.058
Base-Backbone interact. energy: -0.468
local terms energy: -208.234168
where:
bonds (distance) C4'-P energy: -53.512
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -46.167
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -451.614170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.614170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.614170 (E_RNA)
where:
Base-Base interactions energy: -286.441
where: short stacking energy: -131.603
Base-Backbone interact. energy: -2.007
local terms energy: -163.166087
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -46.229
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -213.085449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.085449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.085449 (E_RNA)
where:
Base-Base interactions energy: -85.695
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.956
local terms energy: -126.434295
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -35.467
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: 9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -896.822361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.822361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.822361 (E_RNA)
where:
Base-Base interactions energy: -619.842
where: short stacking energy: -249.809
Base-Backbone interact. energy: -1.144
local terms energy: -275.836691
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -61.255
flat angles C4'-P-C4' energy: -59.844
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -70.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -886.160688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.160688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.160688 (E_RNA)
where:
Base-Base interactions energy: -601.052
where: short stacking energy: -262.987
Base-Backbone interact. energy: 0.906
local terms energy: -286.015207
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -76.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -828.164265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.164265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.164265 (E_RNA)
where:
Base-Base interactions energy: -567.874
where: short stacking energy: -252.551
Base-Backbone interact. energy: -2.731
local terms energy: -257.558875
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -53.784
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -68.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -825.259964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.259964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.259964 (E_RNA)
where:
Base-Base interactions energy: -571.690
where: short stacking energy: -256.442
Base-Backbone interact. energy: 2.517
local terms energy: -256.086776
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -73.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -779.146778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.146778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.146778 (E_RNA)
where:
Base-Base interactions energy: -530.279
where: short stacking energy: -229.939
Base-Backbone interact. energy: -1.507
local terms energy: -247.360028
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -43.616
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: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -648.315323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.315323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.315323 (E_RNA)
where:
Base-Base interactions energy: -432.356
where: short stacking energy: -181.322
Base-Backbone interact. energy: -1.165
local terms energy: -214.794607
where:
bonds (distance) C4'-P energy: -45.009
bonds (distance) P-C4' energy: -47.661
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -644.831760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.831760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.831760 (E_RNA)
where:
Base-Base interactions energy: -429.290
where: short stacking energy: -189.837
Base-Backbone interact. energy: 0.731
local terms energy: -216.272470
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -39.992
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: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -577.351005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.351005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.351005 (E_RNA)
where:
Base-Base interactions energy: -385.725
where: short stacking energy: -170.753
Base-Backbone interact. energy: 0.653
local terms energy: -192.279581
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -35.241
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: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -409.669751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.669751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.669751 (E_RNA)
where:
Base-Base interactions energy: -232.322
where: short stacking energy: -112.837
Base-Backbone interact. energy: -0.450
local terms energy: -176.898040
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -52.735
flat angles C4'-P-C4' energy: -51.718
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -217.049526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.049526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.049526 (E_RNA)
where:
Base-Base interactions energy: -73.640
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.130
local terms energy: -143.279949
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -1.300
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: 246
Temperature: 0.900000
Total energy: -899.424829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.424829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.424829 (E_RNA)
where:
Base-Base interactions energy: -610.824
where: short stacking energy: -261.396
Base-Backbone interact. energy: -0.731
local terms energy: -287.869504
where:
bonds (distance) C4'-P energy: -51.128
bonds (distance) P-C4' energy: -62.237
flat angles C4'-P-C4' energy: -62.248
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -73.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -888.609835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.609835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.609835 (E_RNA)
where:
Base-Base interactions energy: -602.295
where: short stacking energy: -237.251
Base-Backbone interact. energy: -2.469
local terms energy: -283.846299
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -68.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -849.445336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.445336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.445336 (E_RNA)
where:
Base-Base interactions energy: -569.973
where: short stacking energy: -260.758
Base-Backbone interact. energy: -0.336
local terms energy: -279.136937
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -49.019
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -81.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -835.693000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.693000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.693000 (E_RNA)
where:
Base-Base interactions energy: -560.930
where: short stacking energy: -262.850
Base-Backbone interact. energy: -1.835
local terms energy: -272.928912
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -81.949
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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -753.514914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.514914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.514914 (E_RNA)
where:
Base-Base interactions energy: -500.662
where: short stacking energy: -205.044
Base-Backbone interact. energy: -1.407
local terms energy: -251.445203
where:
bonds (distance) C4'-P energy: -53.063
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -60.874
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: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -638.628840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.628840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.628840 (E_RNA)
where:
Base-Base interactions energy: -425.936
where: short stacking energy: -181.656
Base-Backbone interact. energy: 0.327
local terms energy: -213.019647
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -34.957
tors. eta vs tors. theta energy: -41.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -662.025053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.025053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.025053 (E_RNA)
where:
Base-Base interactions energy: -452.942
where: short stacking energy: -172.883
Base-Backbone interact. energy: -1.806
local terms energy: -207.276339
where:
bonds (distance) C4'-P energy: -57.157
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -27.884
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -583.468895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.468895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.468895 (E_RNA)
where:
Base-Base interactions energy: -388.029
where: short stacking energy: -179.071
Base-Backbone interact. energy: 0.594
local terms energy: -196.033370
where:
bonds (distance) C4'-P energy: -47.936
bonds (distance) P-C4' energy: -41.472
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -45.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -415.475505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.475505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.475505 (E_RNA)
where:
Base-Base interactions energy: -242.075
where: short stacking energy: -104.141
Base-Backbone interact. energy: -1.670
local terms energy: -171.730398
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -49.821
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -239.108716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.108716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.108716 (E_RNA)
where:
Base-Base interactions energy: -94.927
where: short stacking energy: -77.783
Base-Backbone interact. energy: 0.992
local terms energy: -145.173837
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -39.792
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: 0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -894.202698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.202698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.202698 (E_RNA)
where:
Base-Base interactions energy: -605.673
where: short stacking energy: -258.312
Base-Backbone interact. energy: -1.355
local terms energy: -287.174577
where:
bonds (distance) C4'-P energy: -55.432
bonds (distance) P-C4' energy: -52.613
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: -66.677
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: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -866.586661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.586661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.586661 (E_RNA)
where:
Base-Base interactions energy: -589.313
where: short stacking energy: -243.265
Base-Backbone interact. energy: -2.427
local terms energy: -274.846921
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -61.813
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -32.972
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: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -836.453818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.453818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.453818 (E_RNA)
where:
Base-Base interactions energy: -570.291
where: short stacking energy: -241.330
Base-Backbone interact. energy: -1.397
local terms energy: -264.765898
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -70.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -775.669506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.669506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.669506 (E_RNA)
where:
Base-Base interactions energy: -531.457
where: short stacking energy: -215.617
Base-Backbone interact. energy: 0.718
local terms energy: -244.931015
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -49.408
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -31.600
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -793.021797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.021797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.021797 (E_RNA)
where:
Base-Base interactions energy: -541.169
where: short stacking energy: -238.650
Base-Backbone interact. energy: -0.594
local terms energy: -251.258687
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -47.613
flat angles C4'-P-C4' energy: -60.006
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -65.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -694.048286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.048286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.048286 (E_RNA)
where:
Base-Base interactions energy: -464.902
where: short stacking energy: -195.010
Base-Backbone interact. energy: -1.729
local terms energy: -227.417876
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -56.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -609.640493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.640493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.640493 (E_RNA)
where:
Base-Base interactions energy: -383.757
where: short stacking energy: -175.460
Base-Backbone interact. energy: 1.799
local terms energy: -227.682776
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -42.950
flat angles C4'-P-C4' energy: -52.919
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -45.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -595.215650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.215650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.215650 (E_RNA)
where:
Base-Base interactions energy: -399.874
where: short stacking energy: -183.057
Base-Backbone interact. energy: -1.020
local terms energy: -194.321127
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -47.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -421.157997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.157997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.157997 (E_RNA)
where:
Base-Base interactions energy: -227.656
where: short stacking energy: -111.000
Base-Backbone interact. energy: 0.130
local terms energy: -193.631784
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -52.512
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -17.073
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: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -224.040121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040121 (E_RNA)
where:
Base-Base interactions energy: -94.225
where: short stacking energy: -74.455
Base-Backbone interact. energy: 0.350
local terms energy: -130.164686
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: 11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -905.304419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.304419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.304419 (E_RNA)
where:
Base-Base interactions energy: -637.759
where: short stacking energy: -272.205
Base-Backbone interact. energy: -2.084
local terms energy: -265.461856
where:
bonds (distance) C4'-P energy: -51.185
bonds (distance) P-C4' energy: -44.347
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -71.774
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: 248
Temperature: 0.950000
Total energy: -873.818075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.818075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.818075 (E_RNA)
where:
Base-Base interactions energy: -599.269
where: short stacking energy: -255.435
Base-Backbone interact. energy: -1.318
local terms energy: -273.230651
where:
bonds (distance) C4'-P energy: -45.974
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -43.497
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: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -832.211187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.211187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.211187 (E_RNA)
where:
Base-Base interactions energy: -574.717
where: short stacking energy: -244.519
Base-Backbone interact. energy: -1.110
local terms energy: -256.384100
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: -67.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -799.440663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.440663 (E_RNA)
where:
Base-Base interactions energy: -543.383
where: short stacking energy: -246.150
Base-Backbone interact. energy: -0.538
local terms energy: -255.519477
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -51.515
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: -70.209
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -789.290748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.290748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.290748 (E_RNA)
where:
Base-Base interactions energy: -542.797
where: short stacking energy: -240.853
Base-Backbone interact. energy: -1.471
local terms energy: -245.022465
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -70.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -667.613682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.613682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.613682 (E_RNA)
where:
Base-Base interactions energy: -454.896
where: short stacking energy: -198.980
Base-Backbone interact. energy: -0.780
local terms energy: -211.936788
where:
bonds (distance) C4'-P energy: -40.714
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -49.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -595.452184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.452184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.452184 (E_RNA)
where:
Base-Base interactions energy: -382.014
where: short stacking energy: -169.186
Base-Backbone interact. energy: 0.652
local terms energy: -214.090693
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -54.187
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -569.740653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.740653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.740653 (E_RNA)
where:
Base-Base interactions energy: -379.967
where: short stacking energy: -162.508
Base-Backbone interact. energy: 1.523
local terms energy: -191.296850
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -45.881
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -33.240
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: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -418.350585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.350585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.350585 (E_RNA)
where:
Base-Base interactions energy: -254.935
where: short stacking energy: -114.786
Base-Backbone interact. energy: 0.071
local terms energy: -163.487369
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -41.328
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: -16.439
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: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -264.800141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.800141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.800141 (E_RNA)
where:
Base-Base interactions energy: -98.411
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.721
local terms energy: -165.667712
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -42.525
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -904.986943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.986943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.986943 (E_RNA)
where:
Base-Base interactions energy: -640.341
where: short stacking energy: -261.627
Base-Backbone interact. energy: -2.290
local terms energy: -262.356178
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -62.506
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: -72.963
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -895.333592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.333592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.333592 (E_RNA)
where:
Base-Base interactions energy: -625.376
where: short stacking energy: -271.803
Base-Backbone interact. energy: -1.045
local terms energy: -268.911809
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: -76.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -815.496250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.496250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.496250 (E_RNA)
where:
Base-Base interactions energy: -556.487
where: short stacking energy: -260.407
Base-Backbone interact. energy: -1.140
local terms energy: -257.868978
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -44.506
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -37.742
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -783.797486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.797486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.797486 (E_RNA)
where:
Base-Base interactions energy: -548.217
where: short stacking energy: -238.210
Base-Backbone interact. energy: -1.316
local terms energy: -234.263924
where:
bonds (distance) C4'-P energy: -38.939
bonds (distance) P-C4' energy: -45.303
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -61.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -725.337262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.337262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.337262 (E_RNA)
where:
Base-Base interactions energy: -485.673
where: short stacking energy: -214.543
Base-Backbone interact. energy: 3.134
local terms energy: -242.797681
where:
bonds (distance) C4'-P energy: -48.676
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -58.727
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -59.966
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: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -711.876564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.876564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.876564 (E_RNA)
where:
Base-Base interactions energy: -466.726
where: short stacking energy: -212.953
Base-Backbone interact. energy: 0.570
local terms energy: -245.720650
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -57.843
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -51.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -619.763151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.763151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.763151 (E_RNA)
where:
Base-Base interactions energy: -407.666
where: short stacking energy: -173.346
Base-Backbone interact. energy: -2.921
local terms energy: -209.176306
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -47.488
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -43.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -581.999644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.999644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.999644 (E_RNA)
where:
Base-Base interactions energy: -378.025
where: short stacking energy: -151.625
Base-Backbone interact. energy: -0.210
local terms energy: -203.764139
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -41.981
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -445.650886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.650886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.650886 (E_RNA)
where:
Base-Base interactions energy: -278.590
where: short stacking energy: -129.648
Base-Backbone interact. energy: 1.467
local terms energy: -168.527796
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -240.664330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.664330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.664330 (E_RNA)
where:
Base-Base interactions energy: -82.618
where: short stacking energy: -56.971
Base-Backbone interact. energy: -2.711
local terms energy: -155.335055
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -50.284
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -901.239042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.239042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.239042 (E_RNA)
where:
Base-Base interactions energy: -611.694
where: short stacking energy: -266.022
Base-Backbone interact. energy: -1.810
local terms energy: -287.734500
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -43.684
tors. eta vs tors. theta energy: -73.184
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: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -890.016521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.016521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.016521 (E_RNA)
where:
Base-Base interactions energy: -623.331
where: short stacking energy: -250.740
Base-Backbone interact. energy: -0.234
local terms energy: -266.451118
where:
bonds (distance) C4'-P energy: -54.316
bonds (distance) P-C4' energy: -52.410
flat angles C4'-P-C4' energy: -59.221
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -62.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -805.020693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.020693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.020693 (E_RNA)
where:
Base-Base interactions energy: -535.692
where: short stacking energy: -231.221
Base-Backbone interact. energy: -0.963
local terms energy: -268.366128
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -61.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -804.793590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.793590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.793590 (E_RNA)
where:
Base-Base interactions energy: -552.445
where: short stacking energy: -238.797
Base-Backbone interact. energy: -1.460
local terms energy: -250.889567
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -51.720
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -64.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -780.326536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.326536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.326536 (E_RNA)
where:
Base-Base interactions energy: -533.408
where: short stacking energy: -241.273
Base-Backbone interact. energy: -0.843
local terms energy: -246.075500
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -73.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -711.086312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.086312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.086312 (E_RNA)
where:
Base-Base interactions energy: -475.899
where: short stacking energy: -206.657
Base-Backbone interact. energy: -0.812
local terms energy: -234.374967
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -52.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -633.926831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.926831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.926831 (E_RNA)
where:
Base-Base interactions energy: -409.858
where: short stacking energy: -191.555
Base-Backbone interact. energy: -0.907
local terms energy: -223.161441
where:
bonds (distance) C4'-P energy: -41.667
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -52.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -594.008369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.008369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.008369 (E_RNA)
where:
Base-Base interactions energy: -396.429
where: short stacking energy: -188.106
Base-Backbone interact. energy: 0.323
local terms energy: -197.901479
where:
bonds (distance) C4'-P energy: -45.951
bonds (distance) P-C4' energy: -43.602
flat angles C4'-P-C4' energy: -46.988
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -33.721
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -434.862455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.862455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.862455 (E_RNA)
where:
Base-Base interactions energy: -247.944
where: short stacking energy: -116.883
Base-Backbone interact. energy: -1.629
local terms energy: -185.289625
where:
bonds (distance) C4'-P energy: -49.153
bonds (distance) P-C4' energy: -53.221
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -241.175733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.175733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.175733 (E_RNA)
where:
Base-Base interactions energy: -94.077
where: short stacking energy: -78.628
Base-Backbone interact. energy: -0.771
local terms energy: -146.327619
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -33.020
flat angles C4'-P-C4' energy: -36.594
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -904.561402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.561402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.561402 (E_RNA)
where:
Base-Base interactions energy: -632.674
where: short stacking energy: -271.307
Base-Backbone interact. energy: -1.716
local terms energy: -270.171996
where:
bonds (distance) C4'-P energy: -52.425
bonds (distance) P-C4' energy: -48.268
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -78.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -893.800852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.800852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.800852 (E_RNA)
where:
Base-Base interactions energy: -633.078
where: short stacking energy: -252.576
Base-Backbone interact. energy: -1.517
local terms energy: -259.205912
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -46.365
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -65.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -795.731061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.731061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.731061 (E_RNA)
where:
Base-Base interactions energy: -542.382
where: short stacking energy: -226.286
Base-Backbone interact. energy: 0.736
local terms energy: -254.084430
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -38.481
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -816.960036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.960036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.960036 (E_RNA)
where:
Base-Base interactions energy: -547.542
where: short stacking energy: -264.057
Base-Backbone interact. energy: -1.957
local terms energy: -267.460962
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -80.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -780.241043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.241043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.241043 (E_RNA)
where:
Base-Base interactions energy: -518.000
where: short stacking energy: -227.271
Base-Backbone interact. energy: -0.370
local terms energy: -261.871294
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -56.641
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -67.555
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: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -689.896677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.896677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.896677 (E_RNA)
where:
Base-Base interactions energy: -451.537
where: short stacking energy: -208.831
Base-Backbone interact. energy: 0.659
local terms energy: -239.018579
where:
bonds (distance) C4'-P energy: -44.995
bonds (distance) P-C4' energy: -45.198
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -56.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -635.981012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.981012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.981012 (E_RNA)
where:
Base-Base interactions energy: -431.865
where: short stacking energy: -207.414
Base-Backbone interact. energy: -0.687
local terms energy: -203.429811
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -53.632
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -48.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -566.693102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.693102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.693102 (E_RNA)
where:
Base-Base interactions energy: -370.880
where: short stacking energy: -165.543
Base-Backbone interact. energy: 1.339
local terms energy: -197.151658
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -34.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -460.549166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.549166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.549166 (E_RNA)
where:
Base-Base interactions energy: -269.856
where: short stacking energy: -130.509
Base-Backbone interact. energy: -1.083
local terms energy: -189.610791
where:
bonds (distance) C4'-P energy: -46.669
bonds (distance) P-C4' energy: -43.562
flat angles C4'-P-C4' energy: -47.002
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -28.258
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: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -244.616430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.616430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.616430 (E_RNA)
where:
Base-Base interactions energy: -112.379
where: short stacking energy: -75.719
Base-Backbone interact. energy: 0.522
local terms energy: -132.759447
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -39.865
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: 15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -907.573478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.573478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.573478 (E_RNA)
where:
Base-Base interactions energy: -613.836
where: short stacking energy: -277.174
Base-Backbone interact. energy: -0.891
local terms energy: -292.845757
where:
bonds (distance) C4'-P energy: -60.218
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -60.324
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -79.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -873.082447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.082447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.082447 (E_RNA)
where:
Base-Base interactions energy: -600.080
where: short stacking energy: -250.992
Base-Backbone interact. energy: -0.825
local terms energy: -272.177464
where:
bonds (distance) C4'-P energy: -54.460
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -41.221
tors. eta vs tors. theta energy: -66.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -807.680559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.680559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.680559 (E_RNA)
where:
Base-Base interactions energy: -547.425
where: short stacking energy: -226.173
Base-Backbone interact. energy: -1.119
local terms energy: -259.135946
where:
bonds (distance) C4'-P energy: -45.198
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -54.960
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -58.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -828.532454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.532454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.532454 (E_RNA)
where:
Base-Base interactions energy: -547.636
where: short stacking energy: -242.352
Base-Backbone interact. energy: -1.568
local terms energy: -279.328105
where:
bonds (distance) C4'-P energy: -63.013
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -58.662
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -64.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -776.657682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.657682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.657682 (E_RNA)
where:
Base-Base interactions energy: -526.549
where: short stacking energy: -222.364
Base-Backbone interact. energy: -0.618
local terms energy: -249.491246
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: -62.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -693.480831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.480831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.480831 (E_RNA)
where:
Base-Base interactions energy: -468.562
where: short stacking energy: -209.472
Base-Backbone interact. energy: -0.724
local terms energy: -224.194871
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -56.568
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: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -602.435893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.435893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.435893 (E_RNA)
where:
Base-Base interactions energy: -373.887
where: short stacking energy: -159.446
Base-Backbone interact. energy: -1.502
local terms energy: -227.047144
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -30.607
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: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -592.530038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.530038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.530038 (E_RNA)
where:
Base-Base interactions energy: -378.946
where: short stacking energy: -165.345
Base-Backbone interact. energy: -1.417
local terms energy: -212.166504
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -55.124
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -38.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -423.492426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.492426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.492426 (E_RNA)
where:
Base-Base interactions energy: -251.417
where: short stacking energy: -123.752
Base-Backbone interact. energy: 0.677
local terms energy: -172.752848
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -44.639
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -223.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.610656 (E_RNA)
where:
Base-Base interactions energy: -70.467
where: short stacking energy: -64.705
Base-Backbone interact. energy: -1.044
local terms energy: -152.100053
where:
bonds (distance) C4'-P energy: -50.798
bonds (distance) P-C4' energy: -46.130
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -884.162415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.162415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.162415 (E_RNA)
where:
Base-Base interactions energy: -593.753
where: short stacking energy: -263.317
Base-Backbone interact. energy: -2.095
local terms energy: -288.314028
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -75.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -896.357838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.357838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.357838 (E_RNA)
where:
Base-Base interactions energy: -627.949
where: short stacking energy: -260.680
Base-Backbone interact. energy: -0.493
local terms energy: -267.915804
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -49.590
flat angles C4'-P-C4' energy: -59.094
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -69.441
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: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -792.500349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.500349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.500349 (E_RNA)
where:
Base-Base interactions energy: -528.573
where: short stacking energy: -241.780
Base-Backbone interact. energy: -0.179
local terms energy: -263.747667
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -62.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -803.984564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.984564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.984564 (E_RNA)
where:
Base-Base interactions energy: -555.171
where: short stacking energy: -254.336
Base-Backbone interact. energy: 2.636
local terms energy: -251.449710
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -50.520
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -71.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -724.130248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.130248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.130248 (E_RNA)
where:
Base-Base interactions energy: -493.880
where: short stacking energy: -214.947
Base-Backbone interact. energy: -1.190
local terms energy: -229.060154
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -49.384
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -47.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -613.664805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.664805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.664805 (E_RNA)
where:
Base-Base interactions energy: -407.767
where: short stacking energy: -177.281
Base-Backbone interact. energy: -0.993
local terms energy: -204.905104
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -43.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -659.015502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.015502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.015502 (E_RNA)
where:
Base-Base interactions energy: -435.646
where: short stacking energy: -205.128
Base-Backbone interact. energy: -1.475
local terms energy: -221.894288
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -51.799
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -577.632780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.632780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.632780 (E_RNA)
where:
Base-Base interactions energy: -376.159
where: short stacking energy: -168.702
Base-Backbone interact. energy: -0.153
local terms energy: -201.320992
where:
bonds (distance) C4'-P energy: -40.519
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -51.862
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -41.507
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: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -456.889689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.889689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.889689 (E_RNA)
where:
Base-Base interactions energy: -273.191
where: short stacking energy: -133.594
Base-Backbone interact. energy: -0.046
local terms energy: -183.653203
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -46.645
flat angles P-C4'-P energy: -25.149
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -237.578358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.578358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.578358 (E_RNA)
where:
Base-Base interactions energy: -77.281
where: short stacking energy: -74.937
Base-Backbone interact. energy: -0.880
local terms energy: -159.417479
where:
bonds (distance) C4'-P energy: -44.135
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -26.854
tors. eta vs tors. theta energy: -5.134
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: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -911.185472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.185472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.185472 (E_RNA)
where:
Base-Base interactions energy: -635.023
where: short stacking energy: -262.068
Base-Backbone interact. energy: 2.615
local terms energy: -278.777844
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -77.200
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: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -870.938372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.938372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.938372 (E_RNA)
where:
Base-Base interactions energy: -584.998
where: short stacking energy: -260.918
Base-Backbone interact. energy: -2.353
local terms energy: -283.586580
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -57.266
flat angles C4'-P-C4' energy: -60.519
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -76.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -845.342596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.342596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.342596 (E_RNA)
where:
Base-Base interactions energy: -567.058
where: short stacking energy: -259.092
Base-Backbone interact. energy: 2.225
local terms energy: -280.510177
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -55.209
flat angles C4'-P-C4' energy: -57.995
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -80.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -786.805096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.805096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.805096 (E_RNA)
where:
Base-Base interactions energy: -533.271
where: short stacking energy: -244.474
Base-Backbone interact. energy: -1.192
local terms energy: -252.341796
where:
bonds (distance) C4'-P energy: -47.972
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -59.002
flat angles P-C4'-P energy: -43.816
tors. eta vs tors. theta energy: -63.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -727.398822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.398822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.398822 (E_RNA)
where:
Base-Base interactions energy: -490.510
where: short stacking energy: -221.972
Base-Backbone interact. energy: 1.078
local terms energy: -237.966019
where:
bonds (distance) C4'-P energy: -45.422
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -47.809
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -62.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -618.704372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.704372 (E_RNA)
where:
Base-Base interactions energy: -402.474
where: short stacking energy: -184.585
Base-Backbone interact. energy: 0.420
local terms energy: -216.650924
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -45.775
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: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -686.779018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.779018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.779018 (E_RNA)
where:
Base-Base interactions energy: -459.193
where: short stacking energy: -204.241
Base-Backbone interact. energy: -1.191
local terms energy: -226.395172
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -47.798
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -59.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -600.484247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.484247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.484247 (E_RNA)
where:
Base-Base interactions energy: -408.875
where: short stacking energy: -189.316
Base-Backbone interact. energy: -0.861
local terms energy: -190.748061
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -42.382
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -38.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -428.009496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.009496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.009496 (E_RNA)
where:
Base-Base interactions energy: -267.420
where: short stacking energy: -135.906
Base-Backbone interact. energy: -1.461
local terms energy: -159.127910
where:
bonds (distance) C4'-P energy: -40.548
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -247.215645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.215645 (E_RNA)
where:
Base-Base interactions energy: -97.395
where: short stacking energy: -89.134
Base-Backbone interact. energy: 0.720
local terms energy: -150.540883
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -44.994
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -1.120
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: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -919.375951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.375951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.375951 (E_RNA)
where:
Base-Base interactions energy: -645.037
where: short stacking energy: -261.146
Base-Backbone interact. energy: -3.123
local terms energy: -271.216548
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -50.929
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -878.982464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.982464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.982464 (E_RNA)
where:
Base-Base interactions energy: -603.522
where: short stacking energy: -255.891
Base-Backbone interact. energy: -0.802
local terms energy: -274.657878
where:
bonds (distance) C4'-P energy: -48.601
bonds (distance) P-C4' energy: -54.974
flat angles C4'-P-C4' energy: -55.523
flat angles P-C4'-P energy: -40.182
tors. eta vs tors. theta energy: -75.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -820.136335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.136335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.136335 (E_RNA)
where:
Base-Base interactions energy: -542.308
where: short stacking energy: -251.059
Base-Backbone interact. energy: -0.426
local terms energy: -277.403094
where:
bonds (distance) C4'-P energy: -58.637
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -76.136
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -809.241343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.241343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.241343 (E_RNA)
where:
Base-Base interactions energy: -558.570
where: short stacking energy: -249.847
Base-Backbone interact. energy: -1.048
local terms energy: -249.623237
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -50.973
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -65.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -693.210419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.210419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.210419 (E_RNA)
where:
Base-Base interactions energy: -458.302
where: short stacking energy: -216.298
Base-Backbone interact. energy: 2.264
local terms energy: -237.172573
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -54.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -691.453260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.453260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.453260 (E_RNA)
where:
Base-Base interactions energy: -463.627
where: short stacking energy: -199.997
Base-Backbone interact. energy: 1.825
local terms energy: -229.650568
where:
bonds (distance) C4'-P energy: -55.174
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -46.153
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -51.546
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -612.706032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.706032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.706032 (E_RNA)
where:
Base-Base interactions energy: -408.879
where: short stacking energy: -164.238
Base-Backbone interact. energy: -0.799
local terms energy: -203.028387
where:
bonds (distance) C4'-P energy: -39.336
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -51.743
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -31.186
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: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -577.322991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.322991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.322991 (E_RNA)
where:
Base-Base interactions energy: -378.770
where: short stacking energy: -162.314
Base-Backbone interact. energy: -0.600
local terms energy: -197.953554
where:
bonds (distance) C4'-P energy: -44.955
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -417.900713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.900713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.900713 (E_RNA)
where:
Base-Base interactions energy: -249.928
where: short stacking energy: -129.405
Base-Backbone interact. energy: 0.507
local terms energy: -168.480364
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -47.599
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -30.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -224.685215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.685215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.685215 (E_RNA)
where:
Base-Base interactions energy: -96.640
where: short stacking energy: -77.459
Base-Backbone interact. energy: 6.605
local terms energy: -134.649752
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -895.207361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.207361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.207361 (E_RNA)
where:
Base-Base interactions energy: -616.850
where: short stacking energy: -268.951
Base-Backbone interact. energy: -1.025
local terms energy: -277.332026
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -58.895
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -67.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -894.381375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.381375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.381375 (E_RNA)
where:
Base-Base interactions energy: -616.791
where: short stacking energy: -263.407
Base-Backbone interact. energy: -4.004
local terms energy: -273.586027
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -73.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -835.534964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.534964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.534964 (E_RNA)
where:
Base-Base interactions energy: -560.407
where: short stacking energy: -238.994
Base-Backbone interact. energy: -0.484
local terms energy: -274.643585
where:
bonds (distance) C4'-P energy: -56.427
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -63.550
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -783.501585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.501585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.501585 (E_RNA)
where:
Base-Base interactions energy: -529.127
where: short stacking energy: -260.578
Base-Backbone interact. energy: -1.150
local terms energy: -253.224324
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -79.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -702.895769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.895769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.895769 (E_RNA)
where:
Base-Base interactions energy: -469.273
where: short stacking energy: -204.133
Base-Backbone interact. energy: -1.051
local terms energy: -232.570859
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -53.702
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -45.431
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: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -663.481693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.481693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.481693 (E_RNA)
where:
Base-Base interactions energy: -452.744
where: short stacking energy: -200.929
Base-Backbone interact. energy: -1.478
local terms energy: -209.259679
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -43.667
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: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -604.254467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.254467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.254467 (E_RNA)
where:
Base-Base interactions energy: -405.511
where: short stacking energy: -174.551
Base-Backbone interact. energy: 4.915
local terms energy: -203.658732
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -569.903646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.903646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.903646 (E_RNA)
where:
Base-Base interactions energy: -347.482
where: short stacking energy: -158.797
Base-Backbone interact. energy: -1.036
local terms energy: -221.385576
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -37.379
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: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -455.199150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.199150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.199150 (E_RNA)
where:
Base-Base interactions energy: -275.628
where: short stacking energy: -140.072
Base-Backbone interact. energy: -0.011
local terms energy: -179.560056
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -244.750025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.750025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.750025 (E_RNA)
where:
Base-Base interactions energy: -94.505
where: short stacking energy: -82.670
Base-Backbone interact. energy: 1.174
local terms energy: -151.419502
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -1.895
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: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -884.780156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.780156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.780156 (E_RNA)
where:
Base-Base interactions energy: -614.207
where: short stacking energy: -272.398
Base-Backbone interact. energy: 0.862
local terms energy: -271.435122
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -44.512
tors. eta vs tors. theta energy: -73.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -905.096369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.096369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.096369 (E_RNA)
where:
Base-Base interactions energy: -625.638
where: short stacking energy: -273.382
Base-Backbone interact. energy: 1.387
local terms energy: -280.844798
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -62.087
flat angles P-C4'-P energy: -44.314
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -845.021487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.021487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.021487 (E_RNA)
where:
Base-Base interactions energy: -589.386
where: short stacking energy: -240.128
Base-Backbone interact. energy: -2.145
local terms energy: -253.490591
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -69.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -776.374979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.374979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.374979 (E_RNA)
where:
Base-Base interactions energy: -531.662
where: short stacking energy: -239.190
Base-Backbone interact. energy: 1.783
local terms energy: -246.496305
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -67.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -743.234468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.234468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.234468 (E_RNA)
where:
Base-Base interactions energy: -508.606
where: short stacking energy: -214.307
Base-Backbone interact. energy: -0.451
local terms energy: -234.177795
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -42.321
flat angles C4'-P-C4' energy: -51.576
flat angles P-C4'-P energy: -37.365
tors. eta vs tors. theta energy: -62.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -663.256069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.256069 (E_RNA)
where:
Base-Base interactions energy: -436.365
where: short stacking energy: -200.996
Base-Backbone interact. energy: -0.998
local terms energy: -225.892920
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -49.866
flat angles P-C4'-P energy: -32.998
tors. eta vs tors. theta energy: -45.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -610.082365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.082365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.082365 (E_RNA)
where:
Base-Base interactions energy: -396.073
where: short stacking energy: -179.442
Base-Backbone interact. energy: -0.754
local terms energy: -213.255738
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -32.582
tors. eta vs tors. theta energy: -45.407
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -448.334452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.334452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.334452 (E_RNA)
where:
Base-Base interactions energy: -285.471
where: short stacking energy: -145.340
Base-Backbone interact. energy: -1.047
local terms energy: -161.815560
where:
bonds (distance) C4'-P energy: -40.624
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -27.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -512.770329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.770329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.770329 (E_RNA)
where:
Base-Base interactions energy: -328.279
where: short stacking energy: -148.347
Base-Backbone interact. energy: -1.927
local terms energy: -182.564519
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -29.913
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -214.569511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.569511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.569511 (E_RNA)
where:
Base-Base interactions energy: -76.425
where: short stacking energy: -66.765
Base-Backbone interact. energy: 0.215
local terms energy: -138.359465
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -49.078
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: 7.192
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: 258
Temperature: 0.900000
Total energy: -880.200599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.200599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.200599 (E_RNA)
where:
Base-Base interactions energy: -606.008
where: short stacking energy: -263.419
Base-Backbone interact. energy: -0.822
local terms energy: -273.370006
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -37.454
tors. eta vs tors. theta energy: -68.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -884.719545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.719545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.719545 (E_RNA)
where:
Base-Base interactions energy: -608.996
where: short stacking energy: -244.984
Base-Backbone interact. energy: -0.123
local terms energy: -275.601443
where:
bonds (distance) C4'-P energy: -48.887
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: -70.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -817.617435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.617435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.617435 (E_RNA)
where:
Base-Base interactions energy: -564.418
where: short stacking energy: -227.088
Base-Backbone interact. energy: -0.434
local terms energy: -252.765835
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -49.800
flat angles C4'-P-C4' energy: -55.358
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: -58.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -790.786101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.786101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.786101 (E_RNA)
where:
Base-Base interactions energy: -531.114
where: short stacking energy: -235.059
Base-Backbone interact. energy: -0.549
local terms energy: -259.123522
where:
bonds (distance) C4'-P energy: -55.421
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -53.389
flat angles P-C4'-P energy: -35.734
tors. eta vs tors. theta energy: -72.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -803.691136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.691136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.691136 (E_RNA)
where:
Base-Base interactions energy: -537.040
where: short stacking energy: -230.257
Base-Backbone interact. energy: -1.065
local terms energy: -265.586138
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -80.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -683.707956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.707956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.707956 (E_RNA)
where:
Base-Base interactions energy: -455.881
where: short stacking energy: -209.079
Base-Backbone interact. energy: 1.009
local terms energy: -228.835582
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -48.271
flat angles C4'-P-C4' energy: -47.653
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -49.228
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: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -634.205151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.205151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.205151 (E_RNA)
where:
Base-Base interactions energy: -427.893
where: short stacking energy: -196.066
Base-Backbone interact. energy: 1.474
local terms energy: -207.786694
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -44.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -489.585178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.585178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.585178 (E_RNA)
where:
Base-Base interactions energy: -298.684
where: short stacking energy: -141.582
Base-Backbone interact. energy: -0.802
local terms energy: -190.099291
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -45.411
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -28.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -470.852586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.852586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.852586 (E_RNA)
where:
Base-Base interactions energy: -303.788
where: short stacking energy: -139.865
Base-Backbone interact. energy: -1.973
local terms energy: -165.091826
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -238.310307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.310307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.310307 (E_RNA)
where:
Base-Base interactions energy: -81.461
where: short stacking energy: -68.505
Base-Backbone interact. energy: 0.750
local terms energy: -157.599354
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -1.990
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: 259
Temperature: 0.900000
Total energy: -891.812712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.812712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.812712 (E_RNA)
where:
Base-Base interactions energy: -612.508
where: short stacking energy: -263.784
Base-Backbone interact. energy: 2.681
local terms energy: -281.985547
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -58.590
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -67.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -875.798294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.798294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.798294 (E_RNA)
where:
Base-Base interactions energy: -604.895
where: short stacking energy: -248.688
Base-Backbone interact. energy: -1.581
local terms energy: -269.321733
where:
bonds (distance) C4'-P energy: -47.383
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -57.488
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -71.244
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -791.471413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.471413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.471413 (E_RNA)
where:
Base-Base interactions energy: -554.169
where: short stacking energy: -241.379
Base-Backbone interact. energy: 1.942
local terms energy: -239.244062
where:
bonds (distance) C4'-P energy: -48.891
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: -54.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -841.724112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.724112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.724112 (E_RNA)
where:
Base-Base interactions energy: -562.322
where: short stacking energy: -253.535
Base-Backbone interact. energy: -1.163
local terms energy: -278.239160
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -57.897
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -78.671
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: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -837.399754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.399754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.399754 (E_RNA)
where:
Base-Base interactions energy: -559.347
where: short stacking energy: -257.585
Base-Backbone interact. energy: -0.986
local terms energy: -277.066760
where:
bonds (distance) C4'-P energy: -49.396
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -53.111
flat angles P-C4'-P energy: -49.970
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: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -647.328652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.328652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.328652 (E_RNA)
where:
Base-Base interactions energy: -417.295
where: short stacking energy: -167.789
Base-Backbone interact. energy: -0.634
local terms energy: -229.399536
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -51.676
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -42.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -656.911592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.911592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.911592 (E_RNA)
where:
Base-Base interactions energy: -456.797
where: short stacking energy: -189.482
Base-Backbone interact. energy: -0.505
local terms energy: -199.609596
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -36.263
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: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -447.735708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.735708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.735708 (E_RNA)
where:
Base-Base interactions energy: -272.801
where: short stacking energy: -136.060
Base-Backbone interact. energy: 3.867
local terms energy: -178.801352
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -39.467
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -473.459410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.459410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.459410 (E_RNA)
where:
Base-Base interactions energy: -283.730
where: short stacking energy: -122.434
Base-Backbone interact. energy: -0.356
local terms energy: -189.373148
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -38.925
flat angles P-C4'-P energy: -30.024
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -224.625074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.625074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.625074 (E_RNA)
where:
Base-Base interactions energy: -80.489
where: short stacking energy: -80.483
Base-Backbone interact. energy: 1.797
local terms energy: -145.932995
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -43.613
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: 3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -910.688395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.688395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.688395 (E_RNA)
where:
Base-Base interactions energy: -626.101
where: short stacking energy: -255.347
Base-Backbone interact. energy: -2.292
local terms energy: -282.295661
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -73.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -864.934654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.934654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.934654 (E_RNA)
where:
Base-Base interactions energy: -599.677
where: short stacking energy: -252.416
Base-Backbone interact. energy: -0.493
local terms energy: -264.765090
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -71.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -820.961669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.961669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.961669 (E_RNA)
where:
Base-Base interactions energy: -559.155
where: short stacking energy: -245.376
Base-Backbone interact. energy: -1.691
local terms energy: -260.115160
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -43.444
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -32.636
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -802.412014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.412014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.412014 (E_RNA)
where:
Base-Base interactions energy: -551.366
where: short stacking energy: -229.565
Base-Backbone interact. energy: -0.565
local terms energy: -250.481299
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -48.979
flat angles C4'-P-C4' energy: -56.734
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -64.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -767.581102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.581102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.581102 (E_RNA)
where:
Base-Base interactions energy: -511.339
where: short stacking energy: -230.913
Base-Backbone interact. energy: -0.442
local terms energy: -255.800317
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -59.949
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -61.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -632.060022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.060022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.060022 (E_RNA)
where:
Base-Base interactions energy: -420.815
where: short stacking energy: -177.073
Base-Backbone interact. energy: -1.090
local terms energy: -210.154973
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -49.445
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -40.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -657.308651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.308651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.308651 (E_RNA)
where:
Base-Base interactions energy: -437.643
where: short stacking energy: -203.724
Base-Backbone interact. energy: 0.950
local terms energy: -220.615577
where:
bonds (distance) C4'-P energy: -51.998
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -43.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -484.892171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.892171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.892171 (E_RNA)
where:
Base-Base interactions energy: -288.015
where: short stacking energy: -149.264
Base-Backbone interact. energy: -0.071
local terms energy: -196.806570
where:
bonds (distance) C4'-P energy: -52.506
bonds (distance) P-C4' energy: -38.429
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -41.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -461.575043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.575043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.575043 (E_RNA)
where:
Base-Base interactions energy: -276.194
where: short stacking energy: -131.805
Base-Backbone interact. energy: 3.692
local terms energy: -189.072613
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -229.438515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.438515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.438515 (E_RNA)
where:
Base-Base interactions energy: -81.388
where: short stacking energy: -59.972
Base-Backbone interact. energy: 0.101
local terms energy: -148.151362
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: 1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -920.578595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.578595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.578595 (E_RNA)
where:
Base-Base interactions energy: -644.371
where: short stacking energy: -263.617
Base-Backbone interact. energy: -2.341
local terms energy: -273.866353
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -60.654
flat angles P-C4'-P energy: -37.736
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -852.538060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.538060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.538060 (E_RNA)
where:
Base-Base interactions energy: -557.876
where: short stacking energy: -258.528
Base-Backbone interact. energy: -1.334
local terms energy: -293.328081
where:
bonds (distance) C4'-P energy: -57.022
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -63.074
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -841.670232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.670232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.670232 (E_RNA)
where:
Base-Base interactions energy: -570.576
where: short stacking energy: -235.411
Base-Backbone interact. energy: -3.488
local terms energy: -267.606555
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -70.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -796.013565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.013565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.013565 (E_RNA)
where:
Base-Base interactions energy: -545.514
where: short stacking energy: -270.713
Base-Backbone interact. energy: -1.225
local terms energy: -249.273884
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -33.487
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: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -817.362599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.362599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.362599 (E_RNA)
where:
Base-Base interactions energy: -573.250
where: short stacking energy: -231.621
Base-Backbone interact. energy: -0.911
local terms energy: -243.201594
where:
bonds (distance) C4'-P energy: -46.423
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -35.190
tors. eta vs tors. theta energy: -57.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -664.915883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.915883 (E_RNA)
where:
Base-Base interactions energy: -431.286
where: short stacking energy: -187.672
Base-Backbone interact. energy: -0.658
local terms energy: -232.971879
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -51.050
flat angles C4'-P-C4' energy: -57.630
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -46.602
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -597.624270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.624270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.624270 (E_RNA)
where:
Base-Base interactions energy: -379.057
where: short stacking energy: -192.700
Base-Backbone interact. energy: -3.592
local terms energy: -214.975434
where:
bonds (distance) C4'-P energy: -39.752
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -46.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -505.616860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.616860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.616860 (E_RNA)
where:
Base-Base interactions energy: -307.714
where: short stacking energy: -149.340
Base-Backbone interact. energy: 0.651
local terms energy: -198.553715
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -29.688
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: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -439.156180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.156180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.156180 (E_RNA)
where:
Base-Base interactions energy: -260.242
where: short stacking energy: -115.718
Base-Backbone interact. energy: -1.009
local terms energy: -177.905152
where:
bonds (distance) C4'-P energy: -49.431
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -217.987818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.987818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.987818 (E_RNA)
where:
Base-Base interactions energy: -86.644
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.206
local terms energy: -131.138488
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -41.692
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: 9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -925.730586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.730586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.730586 (E_RNA)
where:
Base-Base interactions energy: -647.777
where: short stacking energy: -253.789
Base-Backbone interact. energy: -2.778
local terms energy: -275.175567
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -54.267
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -42.018
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: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -871.759865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.759865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.759865 (E_RNA)
where:
Base-Base interactions energy: -593.959
where: short stacking energy: -261.703
Base-Backbone interact. energy: -0.205
local terms energy: -277.595856
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -49.134
flat angles C4'-P-C4' energy: -60.120
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -75.136
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: 262
Temperature: 1.000000
Total energy: -870.661626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.661626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.661626 (E_RNA)
where:
Base-Base interactions energy: -613.333
where: short stacking energy: -265.672
Base-Backbone interact. energy: -2.140
local terms energy: -255.188301
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -56.861
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -72.285
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -767.991174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.991174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.991174 (E_RNA)
where:
Base-Base interactions energy: -503.722
where: short stacking energy: -209.430
Base-Backbone interact. energy: -0.773
local terms energy: -263.495794
where:
bonds (distance) C4'-P energy: -56.949
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -54.990
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -66.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -756.636492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.636492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.636492 (E_RNA)
where:
Base-Base interactions energy: -502.078
where: short stacking energy: -226.109
Base-Backbone interact. energy: -0.441
local terms energy: -254.117766
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -52.622
flat angles C4'-P-C4' energy: -59.004
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -57.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -733.295720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.295720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.295720 (E_RNA)
where:
Base-Base interactions energy: -494.905
where: short stacking energy: -215.466
Base-Backbone interact. energy: 0.551
local terms energy: -238.941614
where:
bonds (distance) C4'-P energy: -42.334
bonds (distance) P-C4' energy: -61.194
flat angles C4'-P-C4' energy: -48.004
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: -61.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -627.265297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.265297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.265297 (E_RNA)
where:
Base-Base interactions energy: -405.394
where: short stacking energy: -167.482
Base-Backbone interact. energy: -0.526
local terms energy: -221.344680
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -58.559
flat angles C4'-P-C4' energy: -47.769
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -564.582086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.582086 (E_RNA)
where:
Base-Base interactions energy: -366.062
where: short stacking energy: -170.083
Base-Backbone interact. energy: 0.191
local terms energy: -198.711170
where:
bonds (distance) C4'-P energy: -42.827
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -41.479
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: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -438.048386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.048386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.048386 (E_RNA)
where:
Base-Base interactions energy: -261.409
where: short stacking energy: -125.932
Base-Backbone interact. energy: -0.517
local terms energy: -176.122297
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -40.805
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -9.909
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -234.178347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.178347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.178347 (E_RNA)
where:
Base-Base interactions energy: -91.991
where: short stacking energy: -66.309
Base-Backbone interact. energy: 0.090
local terms energy: -142.276832
where:
bonds (distance) C4'-P energy: -39.842
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: 12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -905.995500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.995500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.995500 (E_RNA)
where:
Base-Base interactions energy: -626.516
where: short stacking energy: -252.309
Base-Backbone interact. energy: -0.448
local terms energy: -279.030809
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -59.597
flat angles C4'-P-C4' energy: -58.801
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -68.414
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -867.192659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.192659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.192659 (E_RNA)
where:
Base-Base interactions energy: -595.697
where: short stacking energy: -261.042
Base-Backbone interact. energy: -0.683
local terms energy: -270.812725
where:
bonds (distance) C4'-P energy: -52.706
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -72.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -835.911999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.911999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.911999 (E_RNA)
where:
Base-Base interactions energy: -556.952
where: short stacking energy: -253.580
Base-Backbone interact. energy: -2.778
local terms energy: -276.182423
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -54.544
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -77.268
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: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -797.181143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.181143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.181143 (E_RNA)
where:
Base-Base interactions energy: -537.330
where: short stacking energy: -234.855
Base-Backbone interact. energy: -0.154
local terms energy: -259.697477
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -56.865
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -63.914
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: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -762.777163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.777163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.777163 (E_RNA)
where:
Base-Base interactions energy: -518.975
where: short stacking energy: -218.092
Base-Backbone interact. energy: -0.664
local terms energy: -243.138034
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -58.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -719.830310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.830310 (E_RNA)
where:
Base-Base interactions energy: -466.539
where: short stacking energy: -210.416
Base-Backbone interact. energy: 0.669
local terms energy: -253.959969
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -60.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -620.834899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.834899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.834899 (E_RNA)
where:
Base-Base interactions energy: -420.545
where: short stacking energy: -184.949
Base-Backbone interact. energy: 0.988
local terms energy: -201.278423
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -590.459834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.459834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.459834 (E_RNA)
where:
Base-Base interactions energy: -396.081
where: short stacking energy: -189.044
Base-Backbone interact. energy: -0.301
local terms energy: -194.077719
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -33.073
tors. eta vs tors. theta energy: -50.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -462.390618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.390618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.390618 (E_RNA)
where:
Base-Base interactions energy: -279.834
where: short stacking energy: -145.861
Base-Backbone interact. energy: -0.869
local terms energy: -181.687221
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -223.067241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067241 (E_RNA)
where:
Base-Base interactions energy: -75.772
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.431
local terms energy: -146.864842
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -0.934
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: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -925.294214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.294214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.294214 (E_RNA)
where:
Base-Base interactions energy: -646.966
where: short stacking energy: -268.420
Base-Backbone interact. energy: -1.293
local terms energy: -277.035654
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -58.815
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -71.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -868.044627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.044627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.044627 (E_RNA)
where:
Base-Base interactions energy: -596.158
where: short stacking energy: -263.782
Base-Backbone interact. energy: -0.770
local terms energy: -271.116477
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -58.916
flat angles C4'-P-C4' energy: -57.188
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -66.024
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: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -823.208207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.208207 (E_RNA)
where:
Base-Base interactions energy: -554.811
where: short stacking energy: -248.216
Base-Backbone interact. energy: -0.357
local terms energy: -268.040177
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -75.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -805.111339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.111339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.111339 (E_RNA)
where:
Base-Base interactions energy: -532.765
where: short stacking energy: -242.865
Base-Backbone interact. energy: -1.565
local terms energy: -270.780968
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -59.105
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -68.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -762.676276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.676276 (E_RNA)
where:
Base-Base interactions energy: -512.435
where: short stacking energy: -232.468
Base-Backbone interact. energy: -0.689
local terms energy: -249.551542
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -46.370
flat angles C4'-P-C4' energy: -57.560
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -65.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -719.395694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.395694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.395694 (E_RNA)
where:
Base-Base interactions energy: -486.635
where: short stacking energy: -205.737
Base-Backbone interact. energy: -0.524
local terms energy: -232.236347
where:
bonds (distance) C4'-P energy: -41.837
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -31.488
tors. eta vs tors. theta energy: -54.105
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -619.865731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.865731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.865731 (E_RNA)
where:
Base-Base interactions energy: -426.152
where: short stacking energy: -182.526
Base-Backbone interact. energy: -1.246
local terms energy: -192.467207
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -577.871959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.871959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.871959 (E_RNA)
where:
Base-Base interactions energy: -361.929
where: short stacking energy: -174.361
Base-Backbone interact. energy: -0.756
local terms energy: -215.186936
where:
bonds (distance) C4'-P energy: -39.551
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -30.781
tors. eta vs tors. theta energy: -38.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -457.528282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.528282 (E_RNA)
where:
Base-Base interactions energy: -274.434
where: short stacking energy: -135.240
Base-Backbone interact. energy: -0.024
local terms energy: -183.070614
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -49.202
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -21.582
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: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -234.058494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.058494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.058494 (E_RNA)
where:
Base-Base interactions energy: -104.351
where: short stacking energy: -72.024
Base-Backbone interact. energy: 1.097
local terms energy: -130.804050
where:
bonds (distance) C4'-P energy: -46.974
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: 7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -917.667337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.667337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.667337 (E_RNA)
where:
Base-Base interactions energy: -633.127
where: short stacking energy: -260.285
Base-Backbone interact. energy: -1.326
local terms energy: -283.215078
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -53.554
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -75.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -856.901076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.901076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.901076 (E_RNA)
where:
Base-Base interactions energy: -590.602
where: short stacking energy: -255.834
Base-Backbone interact. energy: 0.732
local terms energy: -267.031807
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -72.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -837.103548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.103548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.103548 (E_RNA)
where:
Base-Base interactions energy: -578.674
where: short stacking energy: -257.254
Base-Backbone interact. energy: 1.563
local terms energy: -259.992364
where:
bonds (distance) C4'-P energy: -45.271
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -52.941
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -67.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -805.837958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.837958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.837958 (E_RNA)
where:
Base-Base interactions energy: -548.628
where: short stacking energy: -260.295
Base-Backbone interact. energy: 0.522
local terms energy: -257.731661
where:
bonds (distance) C4'-P energy: -49.944
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -71.126
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -749.411235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.411235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.411235 (E_RNA)
where:
Base-Base interactions energy: -502.895
where: short stacking energy: -216.269
Base-Backbone interact. energy: -1.091
local terms energy: -245.425038
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -45.422
flat angles C4'-P-C4' energy: -54.809
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -56.323
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: 265
Temperature: 1.150000
Total energy: -677.258147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.258147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.258147 (E_RNA)
where:
Base-Base interactions energy: -468.046
where: short stacking energy: -189.290
Base-Backbone interact. energy: 0.246
local terms energy: -209.457312
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -34.163
tors. eta vs tors. theta energy: -44.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -600.813003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.813003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.813003 (E_RNA)
where:
Base-Base interactions energy: -398.228
where: short stacking energy: -168.046
Base-Backbone interact. energy: -1.776
local terms energy: -200.809370
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -48.153
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -33.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -555.449753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.449753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.449753 (E_RNA)
where:
Base-Base interactions energy: -379.221
where: short stacking energy: -160.799
Base-Backbone interact. energy: -0.873
local terms energy: -175.355453
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -44.246
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -451.435573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.435573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.435573 (E_RNA)
where:
Base-Base interactions energy: -267.975
where: short stacking energy: -124.646
Base-Backbone interact. energy: -1.346
local terms energy: -182.114468
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -17.852
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: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -219.186837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186837 (E_RNA)
where:
Base-Base interactions energy: -67.114
where: short stacking energy: -59.054
Base-Backbone interact. energy: 0.594
local terms energy: -152.666645
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -48.142
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -865.266108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.266108 (E_RNA)
where:
Base-Base interactions energy: -583.971
where: short stacking energy: -267.240
Base-Backbone interact. energy: -0.395
local terms energy: -280.900418
where:
bonds (distance) C4'-P energy: -54.498
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -54.782
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -74.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -889.938578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.938578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.938578 (E_RNA)
where:
Base-Base interactions energy: -624.349
where: short stacking energy: -258.590
Base-Backbone interact. energy: 0.181
local terms energy: -265.770127
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -58.528
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: -68.661
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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -868.632783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.632783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.632783 (E_RNA)
where:
Base-Base interactions energy: -596.952
where: short stacking energy: -262.579
Base-Backbone interact. energy: -0.033
local terms energy: -271.647811
where:
bonds (distance) C4'-P energy: -46.133
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -59.348
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -73.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -760.920940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.920940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.920940 (E_RNA)
where:
Base-Base interactions energy: -508.304
where: short stacking energy: -230.094
Base-Backbone interact. energy: -0.316
local terms energy: -252.301633
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -66.519
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: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -754.204358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.204358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.204358 (E_RNA)
where:
Base-Base interactions energy: -514.494
where: short stacking energy: -207.106
Base-Backbone interact. energy: -1.537
local terms energy: -238.173059
where:
bonds (distance) C4'-P energy: -36.059
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -52.305
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -59.140
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: 266
Temperature: 1.150000
Total energy: -664.242835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.242835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.242835 (E_RNA)
where:
Base-Base interactions energy: -436.212
where: short stacking energy: -185.498
Base-Backbone interact. energy: -1.145
local terms energy: -226.885572
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -39.026
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -49.656
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -574.462684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.462684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.462684 (E_RNA)
where:
Base-Base interactions energy: -362.272
where: short stacking energy: -163.525
Base-Backbone interact. energy: -0.281
local terms energy: -211.908954
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -50.202
flat angles P-C4'-P energy: -35.884
tors. eta vs tors. theta energy: -38.365
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: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -568.505425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.505425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.505425 (E_RNA)
where:
Base-Base interactions energy: -375.781
where: short stacking energy: -175.818
Base-Backbone interact. energy: 1.189
local terms energy: -193.913250
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -477.250993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.250993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.250993 (E_RNA)
where:
Base-Base interactions energy: -292.699
where: short stacking energy: -122.052
Base-Backbone interact. energy: -2.281
local terms energy: -182.270177
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -224.843127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.843127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.843127 (E_RNA)
where:
Base-Base interactions energy: -84.554
where: short stacking energy: -71.651
Base-Backbone interact. energy: -0.531
local terms energy: -139.757237
where:
bonds (distance) C4'-P energy: -37.362
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: 9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -884.818883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.818883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.818883 (E_RNA)
where:
Base-Base interactions energy: -605.809
where: short stacking energy: -272.031
Base-Backbone interact. energy: 0.601
local terms energy: -279.610408
where:
bonds (distance) C4'-P energy: -56.662
bonds (distance) P-C4' energy: -54.454
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -76.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -890.145782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.145782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.145782 (E_RNA)
where:
Base-Base interactions energy: -614.233
where: short stacking energy: -256.293
Base-Backbone interact. energy: -1.195
local terms energy: -274.718175
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -58.803
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -36.969
tors. eta vs tors. theta energy: -73.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -853.836467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.836467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.836467 (E_RNA)
where:
Base-Base interactions energy: -596.130
where: short stacking energy: -258.103
Base-Backbone interact. energy: 0.229
local terms energy: -257.934972
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -72.656
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -757.037982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.037982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.037982 (E_RNA)
where:
Base-Base interactions energy: -525.976
where: short stacking energy: -226.421
Base-Backbone interact. energy: -0.961
local terms energy: -230.101593
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -56.752
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: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -756.398476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.398476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.398476 (E_RNA)
where:
Base-Base interactions energy: -521.766
where: short stacking energy: -226.288
Base-Backbone interact. energy: -0.970
local terms energy: -233.662838
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -33.774
tors. eta vs tors. theta energy: -55.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -647.271493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.271493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.271493 (E_RNA)
where:
Base-Base interactions energy: -436.431
where: short stacking energy: -187.823
Base-Backbone interact. energy: 0.002
local terms energy: -210.842280
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -44.449
flat angles C4'-P-C4' energy: -46.973
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: -42.519
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -669.505158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.505158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.505158 (E_RNA)
where:
Base-Base interactions energy: -440.922
where: short stacking energy: -187.629
Base-Backbone interact. energy: -1.609
local terms energy: -226.973220
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -48.293
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: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -581.622879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.622879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.622879 (E_RNA)
where:
Base-Base interactions energy: -382.855
where: short stacking energy: -170.584
Base-Backbone interact. energy: -0.928
local terms energy: -197.839883
where:
bonds (distance) C4'-P energy: -39.942
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -48.032
flat angles P-C4'-P energy: -32.638
tors. eta vs tors. theta energy: -42.676
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: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -460.968076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.968076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.968076 (E_RNA)
where:
Base-Base interactions energy: -291.702
where: short stacking energy: -123.509
Base-Backbone interact. energy: -1.053
local terms energy: -168.213185
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -229.823106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.823106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.823106 (E_RNA)
where:
Base-Base interactions energy: -84.307
where: short stacking energy: -73.839
Base-Backbone interact. energy: 0.176
local terms energy: -145.692370
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -47.383
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -921.556271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.556271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.556271 (E_RNA)
where:
Base-Base interactions energy: -647.578
where: short stacking energy: -261.418
Base-Backbone interact. energy: -1.957
local terms energy: -272.021502
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -71.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -867.108734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.108734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.108734 (E_RNA)
where:
Base-Base interactions energy: -592.221
where: short stacking energy: -255.914
Base-Backbone interact. energy: -0.318
local terms energy: -274.569442
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -51.453
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -79.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -849.867751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.867751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.867751 (E_RNA)
where:
Base-Base interactions energy: -585.799
where: short stacking energy: -255.522
Base-Backbone interact. energy: 0.844
local terms energy: -264.912988
where:
bonds (distance) C4'-P energy: -40.150
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -75.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -757.777309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.777309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.777309 (E_RNA)
where:
Base-Base interactions energy: -526.731
where: short stacking energy: -214.953
Base-Backbone interact. energy: -1.053
local terms energy: -229.993940
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -55.909
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -50.299
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: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -741.298810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.298810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.298810 (E_RNA)
where:
Base-Base interactions energy: -517.571
where: short stacking energy: -218.724
Base-Backbone interact. energy: -1.648
local terms energy: -222.079917
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -41.622
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -60.517
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: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -637.743472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.743472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.743472 (E_RNA)
where:
Base-Base interactions energy: -419.976
where: short stacking energy: -192.624
Base-Backbone interact. energy: -1.479
local terms energy: -216.289318
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -50.916
flat angles C4'-P-C4' energy: -43.383
flat angles P-C4'-P energy: -28.166
tors. eta vs tors. theta energy: -43.342
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: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -644.583224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.583224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.583224 (E_RNA)
where:
Base-Base interactions energy: -430.224
where: short stacking energy: -193.063
Base-Backbone interact. energy: -1.133
local terms energy: -213.226493
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -47.640
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -50.802
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -596.003019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.003019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.003019 (E_RNA)
where:
Base-Base interactions energy: -396.725
where: short stacking energy: -193.249
Base-Backbone interact. energy: 0.061
local terms energy: -199.339567
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -42.116
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -44.680
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: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -456.008980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.008980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.008980 (E_RNA)
where:
Base-Base interactions energy: -277.366
where: short stacking energy: -126.768
Base-Backbone interact. energy: 1.605
local terms energy: -180.247644
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -46.057
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -21.616
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: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -229.741880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.741880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741880 (E_RNA)
where:
Base-Base interactions energy: -69.072
where: short stacking energy: -67.187
Base-Backbone interact. energy: -1.568
local terms energy: -159.102588
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -917.809351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.809351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.809351 (E_RNA)
where:
Base-Base interactions energy: -660.539
where: short stacking energy: -257.826
Base-Backbone interact. energy: 3.271
local terms energy: -260.541286
where:
bonds (distance) C4'-P energy: -48.926
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -53.170
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -69.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -838.976954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.976954 (E_RNA)
where:
Base-Base interactions energy: -562.843
where: short stacking energy: -254.747
Base-Backbone interact. energy: -1.594
local terms energy: -274.539826
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -69.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -866.444698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.444698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.444698 (E_RNA)
where:
Base-Base interactions energy: -596.403
where: short stacking energy: -252.905
Base-Backbone interact. energy: -0.254
local terms energy: -269.787188
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -76.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -744.743096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.743096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.743096 (E_RNA)
where:
Base-Base interactions energy: -501.991
where: short stacking energy: -222.520
Base-Backbone interact. energy: -0.903
local terms energy: -241.849241
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -52.373
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -35.489
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -729.584757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.584757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.584757 (E_RNA)
where:
Base-Base interactions energy: -493.437
where: short stacking energy: -205.177
Base-Backbone interact. energy: -2.020
local terms energy: -234.127460
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -50.976
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -35.911
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -653.034612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.034612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.034612 (E_RNA)
where:
Base-Base interactions energy: -436.594
where: short stacking energy: -181.023
Base-Backbone interact. energy: -0.869
local terms energy: -215.571000
where:
bonds (distance) C4'-P energy: -46.236
bonds (distance) P-C4' energy: -38.737
flat angles C4'-P-C4' energy: -54.280
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -40.433
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -563.751287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.751287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.751287 (E_RNA)
where:
Base-Base interactions energy: -358.492
where: short stacking energy: -164.389
Base-Backbone interact. energy: -0.331
local terms energy: -204.928411
where:
bonds (distance) C4'-P energy: -43.729
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -34.076
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: 269
Temperature: 1.250000
Total energy: -545.319032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.319032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.319032 (E_RNA)
where:
Base-Base interactions energy: -365.006
where: short stacking energy: -165.480
Base-Backbone interact. energy: -1.362
local terms energy: -178.951228
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -41.046
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -432.198695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.198695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.198695 (E_RNA)
where:
Base-Base interactions energy: -263.935
where: short stacking energy: -116.736
Base-Backbone interact. energy: -0.998
local terms energy: -167.265372
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -240.174911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.174911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.174911 (E_RNA)
where:
Base-Base interactions energy: -98.186
where: short stacking energy: -69.653
Base-Backbone interact. energy: -0.781
local terms energy: -141.207572
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: 3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -927.147136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.147136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.147136 (E_RNA)
where:
Base-Base interactions energy: -628.948
where: short stacking energy: -260.367
Base-Backbone interact. energy: -1.965
local terms energy: -296.233941
where:
bonds (distance) C4'-P energy: -62.179
bonds (distance) P-C4' energy: -54.137
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -72.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -838.070463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.070463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.070463 (E_RNA)
where:
Base-Base interactions energy: -569.696
where: short stacking energy: -264.454
Base-Backbone interact. energy: -1.013
local terms energy: -267.360938
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -81.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -849.069871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.069871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.069871 (E_RNA)
where:
Base-Base interactions energy: -600.947
where: short stacking energy: -255.204
Base-Backbone interact. energy: 0.084
local terms energy: -248.206569
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -49.381
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -67.310
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: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -772.498848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.498848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.498848 (E_RNA)
where:
Base-Base interactions energy: -515.361
where: short stacking energy: -221.511
Base-Backbone interact. energy: -1.266
local terms energy: -255.872638
where:
bonds (distance) C4'-P energy: -48.936
bonds (distance) P-C4' energy: -57.129
flat angles C4'-P-C4' energy: -48.756
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -65.786
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -763.448261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.448261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.448261 (E_RNA)
where:
Base-Base interactions energy: -510.058
where: short stacking energy: -223.343
Base-Backbone interact. energy: -0.113
local terms energy: -253.277053
where:
bonds (distance) C4'-P energy: -55.852
bonds (distance) P-C4' energy: -46.750
flat angles C4'-P-C4' energy: -53.178
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -59.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -698.148455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.148455 (E_RNA)
where:
Base-Base interactions energy: -450.321
where: short stacking energy: -200.448
Base-Backbone interact. energy: -1.147
local terms energy: -246.681261
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: -51.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -615.656771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.656771 (E_RNA)
where:
Base-Base interactions energy: -394.176
where: short stacking energy: -178.606
Base-Backbone interact. energy: -2.552
local terms energy: -218.928915
where:
bonds (distance) C4'-P energy: -45.386
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -51.112
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -38.886
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -586.969541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.969541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.969541 (E_RNA)
where:
Base-Base interactions energy: -381.358
where: short stacking energy: -158.048
Base-Backbone interact. energy: 1.918
local terms energy: -207.528780
where:
bonds (distance) C4'-P energy: -52.054
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -45.616
flat angles P-C4'-P energy: -32.667
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -426.992739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.992739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.992739 (E_RNA)
where:
Base-Base interactions energy: -275.604
where: short stacking energy: -133.650
Base-Backbone interact. energy: -1.521
local terms energy: -149.868541
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -33.609
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -227.094829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.094829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.094829 (E_RNA)
where:
Base-Base interactions energy: -76.244
where: short stacking energy: -59.647
Base-Backbone interact. energy: -2.373
local terms energy: -148.478265
where:
bonds (distance) C4'-P energy: -46.704
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -47.464
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -1.681
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: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -915.430534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.430534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.430534 (E_RNA)
where:
Base-Base interactions energy: -629.681
where: short stacking energy: -260.861
Base-Backbone interact. energy: -1.357
local terms energy: -284.392984
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -73.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -897.580619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.580619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.580619 (E_RNA)
where:
Base-Base interactions energy: -612.857
where: short stacking energy: -263.152
Base-Backbone interact. energy: -1.390
local terms energy: -283.334324
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -78.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -816.267162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.267162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.267162 (E_RNA)
where:
Base-Base interactions energy: -545.702
where: short stacking energy: -238.674
Base-Backbone interact. energy: -0.289
local terms energy: -270.275948
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -55.056
flat angles P-C4'-P energy: -40.905
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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -824.669969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.669969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.669969 (E_RNA)
where:
Base-Base interactions energy: -554.975
where: short stacking energy: -246.700
Base-Backbone interact. energy: -2.508
local terms energy: -267.186970
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -50.597
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -71.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -759.439062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.439062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.439062 (E_RNA)
where:
Base-Base interactions energy: -523.933
where: short stacking energy: -222.072
Base-Backbone interact. energy: 0.040
local terms energy: -235.546170
where:
bonds (distance) C4'-P energy: -38.640
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -51.451
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -60.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -708.190441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.190441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.190441 (E_RNA)
where:
Base-Base interactions energy: -460.500
where: short stacking energy: -212.326
Base-Backbone interact. energy: 0.720
local terms energy: -248.410396
where:
bonds (distance) C4'-P energy: -52.663
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -54.806
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: -66.030
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: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -619.107404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.107404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.107404 (E_RNA)
where:
Base-Base interactions energy: -406.507
where: short stacking energy: -175.522
Base-Backbone interact. energy: -0.980
local terms energy: -211.620763
where:
bonds (distance) C4'-P energy: -49.769
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -40.823
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -37.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -554.273884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.273884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.273884 (E_RNA)
where:
Base-Base interactions energy: -355.246
where: short stacking energy: -159.206
Base-Backbone interact. energy: -0.876
local terms energy: -198.151168
where:
bonds (distance) C4'-P energy: -46.372
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -44.035
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -28.033
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: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -412.416004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.416004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.416004 (E_RNA)
where:
Base-Base interactions energy: -254.682
where: short stacking energy: -114.625
Base-Backbone interact. energy: -1.025
local terms energy: -156.708188
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -229.014673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014673 (E_RNA)
where:
Base-Base interactions energy: -84.324
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.451
local terms energy: -144.239327
where:
bonds (distance) C4'-P energy: -37.016
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: 1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -925.353632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.353632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.353632 (E_RNA)
where:
Base-Base interactions energy: -633.244
where: short stacking energy: -262.566
Base-Backbone interact. energy: 0.493
local terms energy: -292.601986
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -60.610
flat angles C4'-P-C4' energy: -63.647
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -884.672876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.672876 (E_RNA)
where:
Base-Base interactions energy: -601.062
where: short stacking energy: -256.326
Base-Backbone interact. energy: -2.779
local terms energy: -280.832122
where:
bonds (distance) C4'-P energy: -52.670
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -74.051
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: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -825.969822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.969822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.969822 (E_RNA)
where:
Base-Base interactions energy: -554.525
where: short stacking energy: -244.208
Base-Backbone interact. energy: -1.202
local terms energy: -270.242815
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -74.083
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: 272
Temperature: 1.050000
Total energy: -802.707967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.707967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.707967 (E_RNA)
where:
Base-Base interactions energy: -547.457
where: short stacking energy: -243.670
Base-Backbone interact. energy: -1.279
local terms energy: -253.971936
where:
bonds (distance) C4'-P energy: -41.338
bonds (distance) P-C4' energy: -50.994
flat angles C4'-P-C4' energy: -50.930
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -73.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -726.335981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.335981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.335981 (E_RNA)
where:
Base-Base interactions energy: -474.811
where: short stacking energy: -219.389
Base-Backbone interact. energy: -0.571
local terms energy: -250.954015
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -56.253
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -65.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -743.487895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.487895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.487895 (E_RNA)
where:
Base-Base interactions energy: -509.500
where: short stacking energy: -218.778
Base-Backbone interact. energy: 0.207
local terms energy: -234.194372
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -48.854
flat angles P-C4'-P energy: -30.965
tors. eta vs tors. theta energy: -60.585
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -656.748297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.748297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.748297 (E_RNA)
where:
Base-Base interactions energy: -451.191
where: short stacking energy: -205.497
Base-Backbone interact. energy: 0.599
local terms energy: -206.156351
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -51.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -554.637740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.637740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.637740 (E_RNA)
where:
Base-Base interactions energy: -364.076
where: short stacking energy: -161.194
Base-Backbone interact. energy: -0.469
local terms energy: -190.091891
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -46.107
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -38.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -476.534179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.534179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.534179 (E_RNA)
where:
Base-Base interactions energy: -281.988
where: short stacking energy: -121.589
Base-Backbone interact. energy: -2.610
local terms energy: -191.936754
where:
bonds (distance) C4'-P energy: -37.569
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: -25.752
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: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -229.999758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.999758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.999758 (E_RNA)
where:
Base-Base interactions energy: -81.606
where: short stacking energy: -65.129
Base-Backbone interact. energy: 1.115
local terms energy: -149.508942
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -932.628919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.628919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.628919 (E_RNA)
where:
Base-Base interactions energy: -650.440
where: short stacking energy: -269.869
Base-Backbone interact. energy: -1.223
local terms energy: -280.966606
where:
bonds (distance) C4'-P energy: -57.711
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -55.980
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -70.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -885.116966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.116966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.116966 (E_RNA)
where:
Base-Base interactions energy: -616.888
where: short stacking energy: -262.045
Base-Backbone interact. energy: 0.217
local terms energy: -268.446117
where:
bonds (distance) C4'-P energy: -50.573
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -61.892
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -71.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -849.912799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.912799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.912799 (E_RNA)
where:
Base-Base interactions energy: -575.927
where: short stacking energy: -247.842
Base-Backbone interact. energy: -1.159
local terms energy: -272.826208
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -58.735
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -73.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -814.942101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.942101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.942101 (E_RNA)
where:
Base-Base interactions energy: -542.290
where: short stacking energy: -226.555
Base-Backbone interact. energy: -0.662
local terms energy: -271.990040
where:
bonds (distance) C4'-P energy: -47.251
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -55.237
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -71.192
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: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -698.191672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.191672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.191672 (E_RNA)
where:
Base-Base interactions energy: -457.274
where: short stacking energy: -206.195
Base-Backbone interact. energy: -2.355
local terms energy: -238.562693
where:
bonds (distance) C4'-P energy: -43.328
bonds (distance) P-C4' energy: -50.258
flat angles C4'-P-C4' energy: -50.990
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -53.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -747.557891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.557891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.557891 (E_RNA)
where:
Base-Base interactions energy: -522.893
where: short stacking energy: -222.917
Base-Backbone interact. energy: -1.521
local terms energy: -223.143429
where:
bonds (distance) C4'-P energy: -49.130
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -49.979
flat angles P-C4'-P energy: -30.451
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: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -693.487503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.487503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.487503 (E_RNA)
where:
Base-Base interactions energy: -461.923
where: short stacking energy: -197.244
Base-Backbone interact. energy: -0.617
local terms energy: -230.947831
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -53.710
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -47.394
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: 273
Temperature: 1.250000
Total energy: -584.774957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.774957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.774957 (E_RNA)
where:
Base-Base interactions energy: -379.963
where: short stacking energy: -173.324
Base-Backbone interact. energy: 0.894
local terms energy: -205.705917
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -448.069549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.069549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.069549 (E_RNA)
where:
Base-Base interactions energy: -269.836
where: short stacking energy: -126.297
Base-Backbone interact. energy: -1.539
local terms energy: -176.693991
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -49.663
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -253.040115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.040115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.040115 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -76.144
Base-Backbone interact. energy: -2.054
local terms energy: -151.097284
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -933.675615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.675615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.675615 (E_RNA)
where:
Base-Base interactions energy: -660.933
where: short stacking energy: -264.914
Base-Backbone interact. energy: -0.187
local terms energy: -272.555348
where:
bonds (distance) C4'-P energy: -55.361
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -59.496
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -73.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -899.559196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.559196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.559196 (E_RNA)
where:
Base-Base interactions energy: -617.746
where: short stacking energy: -268.028
Base-Backbone interact. energy: -2.527
local terms energy: -279.286056
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -58.948
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -38.353
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: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -842.499864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.499864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.499864 (E_RNA)
where:
Base-Base interactions energy: -573.381
where: short stacking energy: -253.282
Base-Backbone interact. energy: -0.125
local terms energy: -268.993654
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -71.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -820.064895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.064895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.064895 (E_RNA)
where:
Base-Base interactions energy: -547.281
where: short stacking energy: -248.262
Base-Backbone interact. energy: -0.584
local terms energy: -272.199262
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -60.820
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -70.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -742.939930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.939930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.939930 (E_RNA)
where:
Base-Base interactions energy: -508.272
where: short stacking energy: -220.770
Base-Backbone interact. energy: 0.846
local terms energy: -235.513352
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -49.979
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -58.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -694.754171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.754171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.754171 (E_RNA)
where:
Base-Base interactions energy: -462.554
where: short stacking energy: -201.195
Base-Backbone interact. energy: -1.240
local terms energy: -230.960180
where:
bonds (distance) C4'-P energy: -40.834
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -46.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -656.669312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.669312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.669312 (E_RNA)
where:
Base-Base interactions energy: -443.746
where: short stacking energy: -201.430
Base-Backbone interact. energy: -0.539
local terms energy: -212.383853
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -50.387
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: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -594.838619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.838619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.838619 (E_RNA)
where:
Base-Base interactions energy: -369.340
where: short stacking energy: -161.969
Base-Backbone interact. energy: 0.299
local terms energy: -225.796833
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -39.357
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: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -448.735217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.735217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.735217 (E_RNA)
where:
Base-Base interactions energy: -272.910
where: short stacking energy: -125.461
Base-Backbone interact. energy: 0.014
local terms energy: -175.838609
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -21.942
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -226.758610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.758610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.758610 (E_RNA)
where:
Base-Base interactions energy: -67.909
where: short stacking energy: -63.458
Base-Backbone interact. energy: -2.607
local terms energy: -156.242981
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -41.835
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: 3.303
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: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -905.449832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.449832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.449832 (E_RNA)
where:
Base-Base interactions energy: -636.819
where: short stacking energy: -251.865
Base-Backbone interact. energy: -2.588
local terms energy: -266.042565
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -51.341
flat angles C4'-P-C4' energy: -59.842
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -67.314
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: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -898.199853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.199853 (E_RNA)
where:
Base-Base interactions energy: -620.640
where: short stacking energy: -268.317
Base-Backbone interact. energy: -3.478
local terms energy: -274.081187
where:
bonds (distance) C4'-P energy: -55.071
bonds (distance) P-C4' energy: -49.369
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -72.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -838.077376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.077376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.077376 (E_RNA)
where:
Base-Base interactions energy: -576.690
where: short stacking energy: -242.241
Base-Backbone interact. energy: -1.966
local terms energy: -259.421547
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -51.171
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -36.343
tors. eta vs tors. theta energy: -73.364
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -810.437795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.437795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.437795 (E_RNA)
where:
Base-Base interactions energy: -548.377
where: short stacking energy: -233.102
Base-Backbone interact. energy: -0.154
local terms energy: -261.906720
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -57.283
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -70.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -787.028145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.028145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.028145 (E_RNA)
where:
Base-Base interactions energy: -528.830
where: short stacking energy: -228.232
Base-Backbone interact. energy: -2.020
local terms energy: -256.178531
where:
bonds (distance) C4'-P energy: -53.871
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -60.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -703.985621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.985621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.985621 (E_RNA)
where:
Base-Base interactions energy: -467.535
where: short stacking energy: -195.560
Base-Backbone interact. energy: -1.077
local terms energy: -235.373786
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -54.626
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -53.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -666.925551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.925551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.925551 (E_RNA)
where:
Base-Base interactions energy: -435.815
where: short stacking energy: -199.838
Base-Backbone interact. energy: -0.190
local terms energy: -230.920013
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -49.124
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -54.252
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: 275
Temperature: 1.250000
Total energy: -624.424629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.424629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.424629 (E_RNA)
where:
Base-Base interactions energy: -423.230
where: short stacking energy: -171.557
Base-Backbone interact. energy: 5.029
local terms energy: -206.223747
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -51.930
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -32.602
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -450.895511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.895511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.895511 (E_RNA)
where:
Base-Base interactions energy: -271.241
where: short stacking energy: -116.179
Base-Backbone interact. energy: 1.025
local terms energy: -180.679085
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -246.599789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.599789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.599789 (E_RNA)
where:
Base-Base interactions energy: -94.180
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.710
local terms energy: -151.710074
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -47.427
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -27.687
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -920.040779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.040779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.040779 (E_RNA)
where:
Base-Base interactions energy: -629.906
where: short stacking energy: -270.437
Base-Backbone interact. energy: -3.081
local terms energy: -287.053892
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -45.028
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: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -899.205582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.205582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.205582 (E_RNA)
where:
Base-Base interactions energy: -630.028
where: short stacking energy: -252.342
Base-Backbone interact. energy: -2.614
local terms energy: -266.563822
where:
bonds (distance) C4'-P energy: -54.891
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -73.196
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -834.469702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.469702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.469702 (E_RNA)
where:
Base-Base interactions energy: -566.457
where: short stacking energy: -257.259
Base-Backbone interact. energy: -1.474
local terms energy: -266.538326
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -32.916
tors. eta vs tors. theta energy: -77.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -818.878245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.878245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.878245 (E_RNA)
where:
Base-Base interactions energy: -555.039
where: short stacking energy: -252.414
Base-Backbone interact. energy: 1.821
local terms energy: -265.659805
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -57.793
flat angles C4'-P-C4' energy: -44.958
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -75.117
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: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -700.617448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.617448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.617448 (E_RNA)
where:
Base-Base interactions energy: -471.661
where: short stacking energy: -209.144
Base-Backbone interact. energy: -0.998
local terms energy: -227.958272
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -56.597
flat angles P-C4'-P energy: -34.781
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: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -732.322777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.322777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.322777 (E_RNA)
where:
Base-Base interactions energy: -515.218
where: short stacking energy: -214.348
Base-Backbone interact. energy: 0.245
local terms energy: -217.350162
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -53.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -667.962165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.962165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.962165 (E_RNA)
where:
Base-Base interactions energy: -448.675
where: short stacking energy: -207.356
Base-Backbone interact. energy: -0.909
local terms energy: -218.378416
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -54.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -595.855540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.855540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.855540 (E_RNA)
where:
Base-Base interactions energy: -375.853
where: short stacking energy: -150.263
Base-Backbone interact. energy: -0.819
local terms energy: -219.182818
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -49.310
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -37.762
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: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -433.494394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.494394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.494394 (E_RNA)
where:
Base-Base interactions energy: -268.377
where: short stacking energy: -125.460
Base-Backbone interact. energy: 0.641
local terms energy: -165.758473
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -10.296
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -237.223531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.223531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223531 (E_RNA)
where:
Base-Base interactions energy: -81.589
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.188
local terms energy: -155.447128
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -51.098
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: 5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -927.679054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.679054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.679054 (E_RNA)
where:
Base-Base interactions energy: -638.610
where: short stacking energy: -266.579
Base-Backbone interact. energy: -0.765
local terms energy: -288.303810
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -55.835
flat angles C4'-P-C4' energy: -67.156
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: -76.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -896.067747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.067747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.067747 (E_RNA)
where:
Base-Base interactions energy: -607.621
where: short stacking energy: -253.203
Base-Backbone interact. energy: -0.872
local terms energy: -287.574633
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -60.561
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -41.874
tors. eta vs tors. theta energy: -71.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -817.709042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.709042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.709042 (E_RNA)
where:
Base-Base interactions energy: -544.826
where: short stacking energy: -238.135
Base-Backbone interact. energy: -0.134
local terms energy: -272.749489
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -59.533
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -70.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -795.581950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.581950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.581950 (E_RNA)
where:
Base-Base interactions energy: -524.122
where: short stacking energy: -228.789
Base-Backbone interact. energy: -1.244
local terms energy: -270.215805
where:
bonds (distance) C4'-P energy: -52.635
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -61.807
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: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -748.717754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.717754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.717754 (E_RNA)
where:
Base-Base interactions energy: -498.370
where: short stacking energy: -225.466
Base-Backbone interact. energy: -0.489
local terms energy: -249.858126
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -59.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -705.138341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.138341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.138341 (E_RNA)
where:
Base-Base interactions energy: -492.862
where: short stacking energy: -207.371
Base-Backbone interact. energy: -1.391
local terms energy: -210.885139
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -51.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -694.473898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.473898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.473898 (E_RNA)
where:
Base-Base interactions energy: -463.759
where: short stacking energy: -219.477
Base-Backbone interact. energy: -0.667
local terms energy: -230.047913
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -67.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -622.065608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.065608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.065608 (E_RNA)
where:
Base-Base interactions energy: -408.272
where: short stacking energy: -159.853
Base-Backbone interact. energy: 2.236
local terms energy: -216.030047
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -38.579
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: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -473.377569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.377569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.377569 (E_RNA)
where:
Base-Base interactions energy: -283.435
where: short stacking energy: -141.865
Base-Backbone interact. energy: 5.566
local terms energy: -195.508571
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -32.350
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -253.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.884136 (E_RNA)
where:
Base-Base interactions energy: -99.167
where: short stacking energy: -61.676
Base-Backbone interact. energy: -1.041
local terms energy: -153.676461
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: 8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -914.586751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.586751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.586751 (E_RNA)
where:
Base-Base interactions energy: -637.819
where: short stacking energy: -264.279
Base-Backbone interact. energy: 2.132
local terms energy: -278.899908
where:
bonds (distance) C4'-P energy: -53.287
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -41.779
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: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -907.246359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.246359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.246359 (E_RNA)
where:
Base-Base interactions energy: -640.200
where: short stacking energy: -265.899
Base-Backbone interact. energy: -2.717
local terms energy: -264.330087
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -48.589
flat angles C4'-P-C4' energy: -52.280
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -69.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -830.435365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.435365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.435365 (E_RNA)
where:
Base-Base interactions energy: -569.128
where: short stacking energy: -271.202
Base-Backbone interact. energy: -0.993
local terms energy: -260.314260
where:
bonds (distance) C4'-P energy: -41.014
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -77.391
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: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -824.595424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.595424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.595424 (E_RNA)
where:
Base-Base interactions energy: -556.626
where: short stacking energy: -234.268
Base-Backbone interact. energy: -0.979
local terms energy: -266.990287
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -38.085
tors. eta vs tors. theta energy: -74.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -738.329811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.329811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.329811 (E_RNA)
where:
Base-Base interactions energy: -488.598
where: short stacking energy: -226.018
Base-Backbone interact. energy: 1.704
local terms energy: -251.436600
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -51.838
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -60.472
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: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -703.712762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.712762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.712762 (E_RNA)
where:
Base-Base interactions energy: -487.958
where: short stacking energy: -208.416
Base-Backbone interact. energy: -1.402
local terms energy: -214.352516
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -47.456
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -46.138
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: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -673.302291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.302291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.302291 (E_RNA)
where:
Base-Base interactions energy: -450.834
where: short stacking energy: -195.799
Base-Backbone interact. energy: 0.717
local terms energy: -223.185913
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -46.653
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -44.218
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: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -614.813781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.813781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.813781 (E_RNA)
where:
Base-Base interactions energy: -410.686
where: short stacking energy: -171.898
Base-Backbone interact. energy: -1.338
local terms energy: -202.789949
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -41.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -429.669168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.669168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.669168 (E_RNA)
where:
Base-Base interactions energy: -257.854
where: short stacking energy: -141.720
Base-Backbone interact. energy: -0.357
local terms energy: -171.457803
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -43.247
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -14.321
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -226.325676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.325676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.325676 (E_RNA)
where:
Base-Base interactions energy: -97.491
where: short stacking energy: -55.998
Base-Backbone interact. energy: 0.442
local terms energy: -129.276691
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: 10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -915.136054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.136054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.136054 (E_RNA)
where:
Base-Base interactions energy: -640.306
where: short stacking energy: -266.848
Base-Backbone interact. energy: -2.979
local terms energy: -271.851108
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -54.229
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -66.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -865.454933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.454933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.454933 (E_RNA)
where:
Base-Base interactions energy: -582.750
where: short stacking energy: -281.017
Base-Backbone interact. energy: -1.086
local terms energy: -281.618703
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -54.151
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -79.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -895.316963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.316963 (E_RNA)
where:
Base-Base interactions energy: -636.702
where: short stacking energy: -244.275
Base-Backbone interact. energy: -2.610
local terms energy: -256.005597
where:
bonds (distance) C4'-P energy: -45.588
bonds (distance) P-C4' energy: -46.020
flat angles C4'-P-C4' energy: -56.196
flat angles P-C4'-P energy: -38.671
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: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -829.043444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.043444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.043444 (E_RNA)
where:
Base-Base interactions energy: -577.682
where: short stacking energy: -241.442
Base-Backbone interact. energy: -0.528
local terms energy: -250.833615
where:
bonds (distance) C4'-P energy: -47.500
bonds (distance) P-C4' energy: -41.087
flat angles C4'-P-C4' energy: -57.723
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -67.759
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: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -770.602112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.602112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.602112 (E_RNA)
where:
Base-Base interactions energy: -533.461
where: short stacking energy: -220.122
Base-Backbone interact. energy: -1.102
local terms energy: -236.039417
where:
bonds (distance) C4'-P energy: -55.603
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -56.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -708.327901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.327901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.327901 (E_RNA)
where:
Base-Base interactions energy: -492.311
where: short stacking energy: -199.803
Base-Backbone interact. energy: -0.511
local terms energy: -215.506518
where:
bonds (distance) C4'-P energy: -40.989
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -43.506
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -672.139596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.139596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.139596 (E_RNA)
where:
Base-Base interactions energy: -449.786
where: short stacking energy: -208.570
Base-Backbone interact. energy: -0.143
local terms energy: -222.210841
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -40.603
flat angles C4'-P-C4' energy: -54.646
flat angles P-C4'-P energy: -31.499
tors. eta vs tors. theta energy: -50.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -610.968003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.968003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.968003 (E_RNA)
where:
Base-Base interactions energy: -404.523
where: short stacking energy: -175.812
Base-Backbone interact. energy: 0.048
local terms energy: -206.493427
where:
bonds (distance) C4'-P energy: -42.263
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -53.504
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -43.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -453.004897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.004897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.004897 (E_RNA)
where:
Base-Base interactions energy: -280.823
where: short stacking energy: -119.424
Base-Backbone interact. energy: 2.376
local terms energy: -174.557882
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -26.364
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: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -225.967660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.967660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.967660 (E_RNA)
where:
Base-Base interactions energy: -76.443
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.280
local terms energy: -149.245350
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -5.583
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: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -873.532042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.532042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.532042 (E_RNA)
where:
Base-Base interactions energy: -584.759
where: short stacking energy: -255.579
Base-Backbone interact. energy: -1.595
local terms energy: -287.178418
where:
bonds (distance) C4'-P energy: -59.231
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -892.767449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.767449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.767449 (E_RNA)
where:
Base-Base interactions energy: -634.838
where: short stacking energy: -248.008
Base-Backbone interact. energy: 0.202
local terms energy: -258.131599
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -52.871
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -33.488
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -878.700545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.700545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.700545 (E_RNA)
where:
Base-Base interactions energy: -606.677
where: short stacking energy: -257.570
Base-Backbone interact. energy: -1.370
local terms energy: -270.653244
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -57.596
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -74.770
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: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -824.460477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.460477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.460477 (E_RNA)
where:
Base-Base interactions energy: -555.583
where: short stacking energy: -238.434
Base-Backbone interact. energy: -0.296
local terms energy: -268.582116
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -50.360
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -76.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -777.270187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.270187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.270187 (E_RNA)
where:
Base-Base interactions energy: -519.800
where: short stacking energy: -245.153
Base-Backbone interact. energy: 1.873
local terms energy: -259.343726
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -68.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -699.961881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.961881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.961881 (E_RNA)
where:
Base-Base interactions energy: -454.871
where: short stacking energy: -191.400
Base-Backbone interact. energy: -0.474
local terms energy: -244.616978
where:
bonds (distance) C4'-P energy: -58.316
bonds (distance) P-C4' energy: -49.751
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -36.402
tors. eta vs tors. theta energy: -42.619
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: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -678.681423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.681423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.681423 (E_RNA)
where:
Base-Base interactions energy: -445.767
where: short stacking energy: -189.700
Base-Backbone interact. energy: -1.280
local terms energy: -231.633824
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -42.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -594.833495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.833495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.833495 (E_RNA)
where:
Base-Base interactions energy: -407.954
where: short stacking energy: -166.347
Base-Backbone interact. energy: -0.897
local terms energy: -185.982555
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -34.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -461.368499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.368499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.368499 (E_RNA)
where:
Base-Base interactions energy: -280.923
where: short stacking energy: -141.745
Base-Backbone interact. energy: -1.031
local terms energy: -179.413696
where:
bonds (distance) C4'-P energy: -43.942
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -28.113
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -234.079639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.079639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.079639 (E_RNA)
where:
Base-Base interactions energy: -85.515
where: short stacking energy: -78.392
Base-Backbone interact. energy: 2.972
local terms energy: -151.536181
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -39.034
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: 6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -878.359952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.359952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.359952 (E_RNA)
where:
Base-Base interactions energy: -602.057
where: short stacking energy: -255.324
Base-Backbone interact. energy: -0.753
local terms energy: -275.550391
where:
bonds (distance) C4'-P energy: -54.601
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -56.358
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -72.355
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: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -900.352548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.352548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.352548 (E_RNA)
where:
Base-Base interactions energy: -621.047
where: short stacking energy: -247.500
Base-Backbone interact. energy: -2.393
local terms energy: -276.913207
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -66.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -878.635042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.635042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.635042 (E_RNA)
where:
Base-Base interactions energy: -605.884
where: short stacking energy: -246.072
Base-Backbone interact. energy: -1.397
local terms energy: -271.354475
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -68.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -832.400668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.400668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.400668 (E_RNA)
where:
Base-Base interactions energy: -584.105
where: short stacking energy: -245.470
Base-Backbone interact. energy: 1.792
local terms energy: -250.087499
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -53.406
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -63.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -768.741738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.741738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.741738 (E_RNA)
where:
Base-Base interactions energy: -522.039
where: short stacking energy: -248.931
Base-Backbone interact. energy: -1.801
local terms energy: -244.901660
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -46.613
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -66.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -696.082661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.082661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.082661 (E_RNA)
where:
Base-Base interactions energy: -460.407
where: short stacking energy: -204.977
Base-Backbone interact. energy: -0.894
local terms energy: -234.781667
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -57.070
flat angles C4'-P-C4' energy: -51.656
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -47.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -645.485638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.485638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.485638 (E_RNA)
where:
Base-Base interactions energy: -442.103
where: short stacking energy: -184.260
Base-Backbone interact. energy: -1.209
local terms energy: -202.174011
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -54.172
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -31.042
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -625.479576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.479576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.479576 (E_RNA)
where:
Base-Base interactions energy: -399.357
where: short stacking energy: -192.926
Base-Backbone interact. energy: 2.446
local terms energy: -228.568349
where:
bonds (distance) C4'-P energy: -45.343
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -54.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -456.312285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.312285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.312285 (E_RNA)
where:
Base-Base interactions energy: -272.919
where: short stacking energy: -134.292
Base-Backbone interact. energy: -2.424
local terms energy: -180.968651
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -246.344400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.344400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.344400 (E_RNA)
where:
Base-Base interactions energy: -89.010
where: short stacking energy: -79.738
Base-Backbone interact. energy: -0.273
local terms energy: -157.060785
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -896.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.800116 (E_RNA)
where:
Base-Base interactions energy: -616.667
where: short stacking energy: -260.514
Base-Backbone interact. energy: 0.392
local terms energy: -280.525723
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -57.489
flat angles P-C4'-P energy: -45.548
tors. eta vs tors. theta energy: -70.567
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: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -860.241936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.241936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.241936 (E_RNA)
where:
Base-Base interactions energy: -576.329
where: short stacking energy: -279.474
Base-Backbone interact. energy: 0.624
local terms energy: -284.537536
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -62.031
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -77.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -795.458041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.458041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.458041 (E_RNA)
where:
Base-Base interactions energy: -535.781
where: short stacking energy: -238.963
Base-Backbone interact. energy: -0.426
local terms energy: -259.251452
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -55.648
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -66.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -872.375087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.375087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.375087 (E_RNA)
where:
Base-Base interactions energy: -621.761
where: short stacking energy: -246.518
Base-Backbone interact. energy: -2.248
local terms energy: -248.366938
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -43.745
flat angles C4'-P-C4' energy: -57.500
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -69.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -756.652926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.652926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.652926 (E_RNA)
where:
Base-Base interactions energy: -515.538
where: short stacking energy: -237.677
Base-Backbone interact. energy: -0.855
local terms energy: -240.259575
where:
bonds (distance) C4'-P energy: -54.235
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -61.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -672.855954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.855954 (E_RNA)
where:
Base-Base interactions energy: -432.148
where: short stacking energy: -188.660
Base-Backbone interact. energy: -0.741
local terms energy: -239.966561
where:
bonds (distance) C4'-P energy: -47.213
bonds (distance) P-C4' energy: -51.914
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -37.058
tors. eta vs tors. theta energy: -50.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -596.025945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.025945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.025945 (E_RNA)
where:
Base-Base interactions energy: -410.268
where: short stacking energy: -187.800
Base-Backbone interact. energy: -1.396
local terms energy: -184.361897
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -609.493267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.493267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.493267 (E_RNA)
where:
Base-Base interactions energy: -401.724
where: short stacking energy: -167.998
Base-Backbone interact. energy: -0.723
local terms energy: -207.046253
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -47.812
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -445.873412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.873412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.873412 (E_RNA)
where:
Base-Base interactions energy: -272.961
where: short stacking energy: -128.153
Base-Backbone interact. energy: -0.246
local terms energy: -172.666215
where:
bonds (distance) C4'-P energy: -43.736
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -253.325615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.325615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.325615 (E_RNA)
where:
Base-Base interactions energy: -122.003
where: short stacking energy: -64.771
Base-Backbone interact. energy: 1.303
local terms energy: -132.625417
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: 12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -913.257577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.257577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.257577 (E_RNA)
where:
Base-Base interactions energy: -639.069
where: short stacking energy: -256.108
Base-Backbone interact. energy: -0.852
local terms energy: -273.336015
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -57.774
flat angles C4'-P-C4' energy: -60.817
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -70.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -875.763646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.763646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.763646 (E_RNA)
where:
Base-Base interactions energy: -597.087
where: short stacking energy: -267.515
Base-Backbone interact. energy: -2.003
local terms energy: -276.674116
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -78.455
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: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -795.571997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.571997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.571997 (E_RNA)
where:
Base-Base interactions energy: -528.083
where: short stacking energy: -231.658
Base-Backbone interact. energy: -1.354
local terms energy: -266.134972
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -67.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -845.582408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.582408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.582408 (E_RNA)
where:
Base-Base interactions energy: -576.943
where: short stacking energy: -245.565
Base-Backbone interact. energy: 2.727
local terms energy: -271.366507
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -55.469
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -70.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -794.297326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.297326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.297326 (E_RNA)
where:
Base-Base interactions energy: -524.261
where: short stacking energy: -228.391
Base-Backbone interact. energy: -1.521
local terms energy: -268.515082
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -40.532
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: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -659.198060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.198060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.198060 (E_RNA)
where:
Base-Base interactions energy: -454.566
where: short stacking energy: -208.011
Base-Backbone interact. energy: -2.335
local terms energy: -202.297365
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -618.677488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.677488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.677488 (E_RNA)
where:
Base-Base interactions energy: -422.770
where: short stacking energy: -190.039
Base-Backbone interact. energy: 0.960
local terms energy: -196.867669
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -45.967
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: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -589.024793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.024793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.024793 (E_RNA)
where:
Base-Base interactions energy: -383.878
where: short stacking energy: -160.673
Base-Backbone interact. energy: 3.717
local terms energy: -208.864552
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -32.793
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: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -428.177670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.177670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.177670 (E_RNA)
where:
Base-Base interactions energy: -252.016
where: short stacking energy: -133.878
Base-Backbone interact. energy: -0.857
local terms energy: -175.305145
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -43.365
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -244.728086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.728086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.728086 (E_RNA)
where:
Base-Base interactions energy: -77.761
where: short stacking energy: -65.005
Base-Backbone interact. energy: 0.681
local terms energy: -167.648377
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -891.768629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.768629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.768629 (E_RNA)
where:
Base-Base interactions energy: -608.279
where: short stacking energy: -276.475
Base-Backbone interact. energy: -1.649
local terms energy: -281.840354
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -57.592
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -76.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -888.970095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.970095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.970095 (E_RNA)
where:
Base-Base interactions energy: -616.166
where: short stacking energy: -242.871
Base-Backbone interact. energy: -0.316
local terms energy: -272.487170
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -51.961
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -65.995
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: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -858.197161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.197161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.197161 (E_RNA)
where:
Base-Base interactions energy: -603.107
where: short stacking energy: -261.996
Base-Backbone interact. energy: -2.863
local terms energy: -252.226623
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -67.787
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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -779.973774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.973774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.973774 (E_RNA)
where:
Base-Base interactions energy: -523.366
where: short stacking energy: -223.755
Base-Backbone interact. energy: 0.628
local terms energy: -257.236059
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -43.040
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: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -753.614154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.614154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.614154 (E_RNA)
where:
Base-Base interactions energy: -506.523
where: short stacking energy: -233.066
Base-Backbone interact. energy: -0.244
local terms energy: -246.846549
where:
bonds (distance) C4'-P energy: -44.025
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -63.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -706.896350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.896350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.896350 (E_RNA)
where:
Base-Base interactions energy: -487.164
where: short stacking energy: -216.647
Base-Backbone interact. energy: 1.076
local terms energy: -220.807965
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -46.561
flat angles C4'-P-C4' energy: -42.286
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -56.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -647.803256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.803256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.803256 (E_RNA)
where:
Base-Base interactions energy: -428.252
where: short stacking energy: -193.688
Base-Backbone interact. energy: 0.715
local terms energy: -220.266768
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -40.025
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -551.266465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.266465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.266465 (E_RNA)
where:
Base-Base interactions energy: -370.694
where: short stacking energy: -157.989
Base-Backbone interact. energy: -1.543
local terms energy: -179.029243
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -44.093
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -393.818149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.818149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.818149 (E_RNA)
where:
Base-Base interactions energy: -213.483
where: short stacking energy: -99.514
Base-Backbone interact. energy: -1.062
local terms energy: -179.273342
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -256.693593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.693593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.693593 (E_RNA)
where:
Base-Base interactions energy: -104.571
where: short stacking energy: -78.432
Base-Backbone interact. energy: 1.223
local terms energy: -153.345093
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -50.546
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: 1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -891.952037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.952037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.952037 (E_RNA)
where:
Base-Base interactions energy: -596.166
where: short stacking energy: -266.423
Base-Backbone interact. energy: 0.234
local terms energy: -296.020038
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -80.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -886.293724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.293724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.293724 (E_RNA)
where:
Base-Base interactions energy: -604.050
where: short stacking energy: -255.140
Base-Backbone interact. energy: -2.349
local terms energy: -279.894442
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -53.442
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: -67.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -854.219620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.219620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.219620 (E_RNA)
where:
Base-Base interactions energy: -587.753
where: short stacking energy: -252.548
Base-Backbone interact. energy: -0.722
local terms energy: -265.745462
where:
bonds (distance) C4'-P energy: -49.031
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -58.767
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -70.494
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -785.988469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.988469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.988469 (E_RNA)
where:
Base-Base interactions energy: -531.371
where: short stacking energy: -235.823
Base-Backbone interact. energy: -0.730
local terms energy: -253.887097
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -52.035
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -62.236
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: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -771.782905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.782905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.782905 (E_RNA)
where:
Base-Base interactions energy: -521.924
where: short stacking energy: -233.442
Base-Backbone interact. energy: -0.259
local terms energy: -249.600399
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -49.965
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -62.896
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: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -716.528065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.528065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.528065 (E_RNA)
where:
Base-Base interactions energy: -477.812
where: short stacking energy: -222.394
Base-Backbone interact. energy: -0.307
local terms energy: -238.409504
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -42.358
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -35.976
tors. eta vs tors. theta energy: -63.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -636.472435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.472435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.472435 (E_RNA)
where:
Base-Base interactions energy: -419.457
where: short stacking energy: -185.426
Base-Backbone interact. energy: 1.376
local terms energy: -218.391742
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -46.012
flat angles C4'-P-C4' energy: -56.141
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -53.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -560.045903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.045903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.045903 (E_RNA)
where:
Base-Base interactions energy: -382.170
where: short stacking energy: -170.201
Base-Backbone interact. energy: 5.425
local terms energy: -183.300516
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -48.297
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -37.190
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: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -435.480275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.480275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.480275 (E_RNA)
where:
Base-Base interactions energy: -262.790
where: short stacking energy: -126.095
Base-Backbone interact. energy: -0.896
local terms energy: -171.793802
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -36.172
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -24.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -236.458890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.458890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.458890 (E_RNA)
where:
Base-Base interactions energy: -77.211
where: short stacking energy: -70.108
Base-Backbone interact. energy: -1.185
local terms energy: -158.063019
where:
bonds (distance) C4'-P energy: -56.472
bonds (distance) P-C4' energy: -55.976
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: 3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -880.388402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.388402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.388402 (E_RNA)
where:
Base-Base interactions energy: -598.280
where: short stacking energy: -251.816
Base-Backbone interact. energy: -0.045
local terms energy: -282.063602
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -58.309
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -75.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -876.639076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.639076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.639076 (E_RNA)
where:
Base-Base interactions energy: -606.170
where: short stacking energy: -254.375
Base-Backbone interact. energy: 0.129
local terms energy: -270.598060
where:
bonds (distance) C4'-P energy: -50.497
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -53.825
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -68.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -854.396545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.396545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.396545 (E_RNA)
where:
Base-Base interactions energy: -602.573
where: short stacking energy: -240.035
Base-Backbone interact. energy: 0.429
local terms energy: -252.253061
where:
bonds (distance) C4'-P energy: -47.402
bonds (distance) P-C4' energy: -54.030
flat angles C4'-P-C4' energy: -50.108
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -65.278
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -802.942606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.942606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.942606 (E_RNA)
where:
Base-Base interactions energy: -551.366
where: short stacking energy: -239.385
Base-Backbone interact. energy: -0.354
local terms energy: -251.223135
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -53.722
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -59.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -760.212491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.212491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.212491 (E_RNA)
where:
Base-Base interactions energy: -507.989
where: short stacking energy: -222.772
Base-Backbone interact. energy: -1.418
local terms energy: -250.805581
where:
bonds (distance) C4'-P energy: -48.538
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -70.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -688.723666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.723666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.723666 (E_RNA)
where:
Base-Base interactions energy: -456.098
where: short stacking energy: -215.155
Base-Backbone interact. energy: -0.942
local terms energy: -231.683096
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -56.632
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: -52.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -586.364795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.364795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.364795 (E_RNA)
where:
Base-Base interactions energy: -395.699
where: short stacking energy: -175.158
Base-Backbone interact. energy: -1.371
local terms energy: -189.294900
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -35.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -582.199957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.199957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.199957 (E_RNA)
where:
Base-Base interactions energy: -385.664
where: short stacking energy: -159.905
Base-Backbone interact. energy: -1.643
local terms energy: -194.893469
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -38.652
flat angles C4'-P-C4' energy: -45.301
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -394.329471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.329471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.329471 (E_RNA)
where:
Base-Base interactions energy: -205.599
where: short stacking energy: -96.568
Base-Backbone interact. energy: -0.498
local terms energy: -188.232154
where:
bonds (distance) C4'-P energy: -51.053
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -33.870
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -252.850707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.850707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.850707 (E_RNA)
where:
Base-Base interactions energy: -84.718
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.420
local terms energy: -167.712765
where:
bonds (distance) C4'-P energy: -49.178
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -881.839986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.839986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.839986 (E_RNA)
where:
Base-Base interactions energy: -614.196
where: short stacking energy: -269.836
Base-Backbone interact. energy: -0.762
local terms energy: -266.881613
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -60.003
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -75.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -882.666757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.666757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.666757 (E_RNA)
where:
Base-Base interactions energy: -625.688
where: short stacking energy: -248.307
Base-Backbone interact. energy: 0.359
local terms energy: -257.337901
where:
bonds (distance) C4'-P energy: -50.096
bonds (distance) P-C4' energy: -46.631
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -865.224770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.224770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.224770 (E_RNA)
where:
Base-Base interactions energy: -601.594
where: short stacking energy: -244.360
Base-Backbone interact. energy: -1.278
local terms energy: -262.352990
where:
bonds (distance) C4'-P energy: -45.628
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -63.427
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -62.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -779.122171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.122171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.122171 (E_RNA)
where:
Base-Base interactions energy: -508.605
where: short stacking energy: -237.242
Base-Backbone interact. energy: -1.354
local terms energy: -269.163461
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -63.561
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: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -776.745590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.745590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.745590 (E_RNA)
where:
Base-Base interactions energy: -509.477
where: short stacking energy: -228.760
Base-Backbone interact. energy: 0.390
local terms energy: -267.658432
where:
bonds (distance) C4'-P energy: -43.392
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -68.390
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -729.965792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.965792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.965792 (E_RNA)
where:
Base-Base interactions energy: -502.259
where: short stacking energy: -216.202
Base-Backbone interact. energy: 0.310
local terms energy: -228.016884
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -55.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -608.627560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.627560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.627560 (E_RNA)
where:
Base-Base interactions energy: -385.564
where: short stacking energy: -176.698
Base-Backbone interact. energy: 0.530
local terms energy: -223.593587
where:
bonds (distance) C4'-P energy: -36.014
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -36.942
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: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -585.134086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.134086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.134086 (E_RNA)
where:
Base-Base interactions energy: -382.007
where: short stacking energy: -170.311
Base-Backbone interact. energy: -1.354
local terms energy: -201.773202
where:
bonds (distance) C4'-P energy: -48.302
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -45.689
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -36.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -443.375063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.375063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.375063 (E_RNA)
where:
Base-Base interactions energy: -261.979
where: short stacking energy: -135.453
Base-Backbone interact. energy: -1.114
local terms energy: -180.282411
where:
bonds (distance) C4'-P energy: -45.625
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -247.557445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.557445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.557445 (E_RNA)
where:
Base-Base interactions energy: -87.466
where: short stacking energy: -82.075
Base-Backbone interact. energy: -0.355
local terms energy: -159.736502
where:
bonds (distance) C4'-P energy: -39.088
bonds (distance) P-C4' energy: -48.966
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -0.276
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: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -892.486031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.486031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.486031 (E_RNA)
where:
Base-Base interactions energy: -619.501
where: short stacking energy: -255.367
Base-Backbone interact. energy: 0.660
local terms energy: -273.644828
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -64.406
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: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -873.968985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.968985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.968985 (E_RNA)
where:
Base-Base interactions energy: -593.765
where: short stacking energy: -260.522
Base-Backbone interact. energy: -0.230
local terms energy: -279.974323
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -58.834
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -76.780
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -872.627665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.627665 (E_RNA)
where:
Base-Base interactions energy: -613.597
where: short stacking energy: -259.357
Base-Backbone interact. energy: 1.306
local terms energy: -260.337187
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -51.241
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -40.100
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -732.922650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.922650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.922650 (E_RNA)
where:
Base-Base interactions energy: -477.353
where: short stacking energy: -225.311
Base-Backbone interact. energy: -0.824
local terms energy: -254.745676
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -41.038
tors. eta vs tors. theta energy: -59.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -777.544863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.544863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.544863 (E_RNA)
where:
Base-Base interactions energy: -541.282
where: short stacking energy: -248.587
Base-Backbone interact. energy: -1.543
local terms energy: -234.719457
where:
bonds (distance) C4'-P energy: -34.800
bonds (distance) P-C4' energy: -42.686
flat angles C4'-P-C4' energy: -53.272
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -70.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -696.410495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.410495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.410495 (E_RNA)
where:
Base-Base interactions energy: -477.507
where: short stacking energy: -198.115
Base-Backbone interact. energy: -2.021
local terms energy: -216.882871
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -45.599
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -596.776313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.776313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.776313 (E_RNA)
where:
Base-Base interactions energy: -387.664
where: short stacking energy: -160.073
Base-Backbone interact. energy: -0.275
local terms energy: -208.837901
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -46.759
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -35.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -556.523976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.523976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.523976 (E_RNA)
where:
Base-Base interactions energy: -353.494
where: short stacking energy: -158.069
Base-Backbone interact. energy: 2.189
local terms energy: -205.219014
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -33.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -453.655774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.655774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.655774 (E_RNA)
where:
Base-Base interactions energy: -294.318
where: short stacking energy: -131.749
Base-Backbone interact. energy: 0.198
local terms energy: -159.535239
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -38.612
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -232.841500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.841500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.841500 (E_RNA)
where:
Base-Base interactions energy: -97.574
where: short stacking energy: -69.215
Base-Backbone interact. energy: 1.121
local terms energy: -136.388301
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -41.789
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: 9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -899.076331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.076331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.076331 (E_RNA)
where:
Base-Base interactions energy: -629.205
where: short stacking energy: -254.972
Base-Backbone interact. energy: -0.087
local terms energy: -269.784421
where:
bonds (distance) C4'-P energy: -54.170
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -62.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -894.697783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.697783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.697783 (E_RNA)
where:
Base-Base interactions energy: -606.977
where: short stacking energy: -256.122
Base-Backbone interact. energy: -2.339
local terms energy: -285.382051
where:
bonds (distance) C4'-P energy: -48.473
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -77.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -844.127953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.127953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.127953 (E_RNA)
where:
Base-Base interactions energy: -573.624
where: short stacking energy: -250.702
Base-Backbone interact. energy: -1.128
local terms energy: -269.376067
where:
bonds (distance) C4'-P energy: -42.161
bonds (distance) P-C4' energy: -58.413
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -36.948
tors. eta vs tors. theta energy: -71.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -795.390127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.390127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.390127 (E_RNA)
where:
Base-Base interactions energy: -547.431
where: short stacking energy: -250.899
Base-Backbone interact. energy: -0.151
local terms energy: -247.808068
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -41.202
tors. eta vs tors. theta energy: -63.555
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -737.692967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.692967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.692967 (E_RNA)
where:
Base-Base interactions energy: -496.424
where: short stacking energy: -226.383
Base-Backbone interact. energy: -2.475
local terms energy: -238.794224
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -48.222
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -54.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -708.346012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.346012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.346012 (E_RNA)
where:
Base-Base interactions energy: -473.110
where: short stacking energy: -203.648
Base-Backbone interact. energy: -0.158
local terms energy: -235.078040
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -54.333
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -59.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -600.082501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.082501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.082501 (E_RNA)
where:
Base-Base interactions energy: -390.292
where: short stacking energy: -175.129
Base-Backbone interact. energy: -1.527
local terms energy: -208.263484
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -38.008
flat angles C4'-P-C4' energy: -49.472
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -44.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -568.971172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.971172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.971172 (E_RNA)
where:
Base-Base interactions energy: -369.472
where: short stacking energy: -158.299
Base-Backbone interact. energy: -0.556
local terms energy: -198.942776
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -43.232
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -37.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -458.946588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.946588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.946588 (E_RNA)
where:
Base-Base interactions energy: -289.367
where: short stacking energy: -138.929
Base-Backbone interact. energy: -0.499
local terms energy: -169.080575
where:
bonds (distance) C4'-P energy: -34.248
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -231.888062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.888062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.888062 (E_RNA)
where:
Base-Base interactions energy: -89.179
where: short stacking energy: -66.046
Base-Backbone interact. energy: 0.928
local terms energy: -143.636941
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: 10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -903.716111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.716111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.716111 (E_RNA)
where:
Base-Base interactions energy: -640.690
where: short stacking energy: -253.893
Base-Backbone interact. energy: -2.099
local terms energy: -260.927284
where:
bonds (distance) C4'-P energy: -52.380
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -54.275
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -77.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -873.655134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.655134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.655134 (E_RNA)
where:
Base-Base interactions energy: -618.824
where: short stacking energy: -258.497
Base-Backbone interact. energy: -0.850
local terms energy: -253.980726
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -38.439
flat angles C4'-P-C4' energy: -59.971
flat angles P-C4'-P energy: -42.588
tors. eta vs tors. theta energy: -60.358
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: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -836.144174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.144174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.144174 (E_RNA)
where:
Base-Base interactions energy: -559.305
where: short stacking energy: -254.967
Base-Backbone interact. energy: -0.243
local terms energy: -276.596790
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -72.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -779.900025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.900025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.900025 (E_RNA)
where:
Base-Base interactions energy: -521.399
where: short stacking energy: -230.012
Base-Backbone interact. energy: -0.964
local terms energy: -257.537186
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -58.420
flat angles C4'-P-C4' energy: -52.200
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -62.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -708.681904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.681904 (E_RNA)
where:
Base-Base interactions energy: -470.442
where: short stacking energy: -207.717
Base-Backbone interact. energy: -0.859
local terms energy: -237.381080
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -738.238843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.238843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.238843 (E_RNA)
where:
Base-Base interactions energy: -486.870
where: short stacking energy: -210.910
Base-Backbone interact. energy: -1.012
local terms energy: -250.356624
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -64.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -599.861168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.861168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.861168 (E_RNA)
where:
Base-Base interactions energy: -395.094
where: short stacking energy: -178.037
Base-Backbone interact. energy: -1.423
local terms energy: -203.344595
where:
bonds (distance) C4'-P energy: -36.897
bonds (distance) P-C4' energy: -50.095
flat angles C4'-P-C4' energy: -48.285
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -39.898
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -554.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.663885 (E_RNA)
where:
Base-Base interactions energy: -376.070
where: short stacking energy: -169.258
Base-Backbone interact. energy: 1.825
local terms energy: -180.418595
where:
bonds (distance) C4'-P energy: -46.062
bonds (distance) P-C4' energy: -45.632
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -31.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -490.168405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.168405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.168405 (E_RNA)
where:
Base-Base interactions energy: -310.077
where: short stacking energy: -141.231
Base-Backbone interact. energy: 0.769
local terms energy: -180.860406
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -20.603
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: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -224.095770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.095770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.095770 (E_RNA)
where:
Base-Base interactions energy: -83.245
where: short stacking energy: -56.909
Base-Backbone interact. energy: -1.485
local terms energy: -139.366491
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: 5.186
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: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -925.300598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.300598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.300598 (E_RNA)
where:
Base-Base interactions energy: -654.310
where: short stacking energy: -276.062
Base-Backbone interact. energy: -1.715
local terms energy: -269.275589
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -55.298
flat angles C4'-P-C4' energy: -57.696
flat angles P-C4'-P energy: -34.113
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -875.036674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.036674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.036674 (E_RNA)
where:
Base-Base interactions energy: -613.520
where: short stacking energy: -278.613
Base-Backbone interact. energy: -0.882
local terms energy: -260.634682
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -78.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -828.618269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.618269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.618269 (E_RNA)
where:
Base-Base interactions energy: -569.415
where: short stacking energy: -235.983
Base-Backbone interact. energy: -0.854
local terms energy: -258.349102
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -58.094
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -66.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -807.918295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.918295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.918295 (E_RNA)
where:
Base-Base interactions energy: -542.288
where: short stacking energy: -223.217
Base-Backbone interact. energy: -1.513
local terms energy: -264.117490
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -54.990
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -67.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -713.803848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.803848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.803848 (E_RNA)
where:
Base-Base interactions energy: -479.453
where: short stacking energy: -217.654
Base-Backbone interact. energy: 0.556
local terms energy: -234.907390
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -49.896
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -55.909
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: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -693.576502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.576502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.576502 (E_RNA)
where:
Base-Base interactions energy: -469.957
where: short stacking energy: -210.650
Base-Backbone interact. energy: -1.298
local terms energy: -222.321276
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -54.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -607.379993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.379993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.379993 (E_RNA)
where:
Base-Base interactions energy: -384.586
where: short stacking energy: -168.462
Base-Backbone interact. energy: -0.400
local terms energy: -222.393831
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -43.881
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -552.473566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.473566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.473566 (E_RNA)
where:
Base-Base interactions energy: -367.157
where: short stacking energy: -161.955
Base-Backbone interact. energy: 0.761
local terms energy: -186.077637
where:
bonds (distance) C4'-P energy: -42.962
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -32.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -459.047603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.047603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.047603 (E_RNA)
where:
Base-Base interactions energy: -285.144
where: short stacking energy: -141.859
Base-Backbone interact. energy: 0.856
local terms energy: -174.759279
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -29.213
tors. eta vs tors. theta energy: -17.143
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -245.334988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.334988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.334988 (E_RNA)
where:
Base-Base interactions energy: -90.667
where: short stacking energy: -60.217
Base-Backbone interact. energy: -1.198
local terms energy: -153.469706
where:
bonds (distance) C4'-P energy: -35.895
bonds (distance) P-C4' energy: -51.413
flat angles C4'-P-C4' energy: -37.019
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: 5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -916.778340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.778340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.778340 (E_RNA)
where:
Base-Base interactions energy: -641.549
where: short stacking energy: -262.548
Base-Backbone interact. energy: -0.339
local terms energy: -274.890551
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -58.373
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -37.037
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -868.716700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.716700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.716700 (E_RNA)
where:
Base-Base interactions energy: -583.914
where: short stacking energy: -258.549
Base-Backbone interact. energy: -0.658
local terms energy: -284.144695
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -75.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -815.795805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.795805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.795805 (E_RNA)
where:
Base-Base interactions energy: -557.294
where: short stacking energy: -236.342
Base-Backbone interact. energy: -0.806
local terms energy: -257.696399
where:
bonds (distance) C4'-P energy: -51.017
bonds (distance) P-C4' energy: -55.639
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -61.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -765.440977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.440977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.440977 (E_RNA)
where:
Base-Base interactions energy: -516.654
where: short stacking energy: -229.956
Base-Backbone interact. energy: -0.331
local terms energy: -248.456519
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -62.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -712.945010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.945010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.945010 (E_RNA)
where:
Base-Base interactions energy: -466.665
where: short stacking energy: -217.530
Base-Backbone interact. energy: -1.078
local terms energy: -245.201947
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -55.956
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -56.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -702.828594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.828594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.828594 (E_RNA)
where:
Base-Base interactions energy: -470.573
where: short stacking energy: -212.109
Base-Backbone interact. energy: 0.081
local terms energy: -232.336761
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -54.653
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: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -579.499836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.499836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.499836 (E_RNA)
where:
Base-Base interactions energy: -368.877
where: short stacking energy: -160.245
Base-Backbone interact. energy: -0.692
local terms energy: -209.930848
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -48.601
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -35.967
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -509.712678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.712678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.712678 (E_RNA)
where:
Base-Base interactions energy: -329.106
where: short stacking energy: -139.577
Base-Backbone interact. energy: -0.367
local terms energy: -180.240400
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -46.476
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -487.072549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.072549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.072549 (E_RNA)
where:
Base-Base interactions energy: -303.515
where: short stacking energy: -138.518
Base-Backbone interact. energy: -1.146
local terms energy: -182.411420
where:
bonds (distance) C4'-P energy: -45.956
bonds (distance) P-C4' energy: -51.822
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -27.157
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -236.270073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.270073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.270073 (E_RNA)
where:
Base-Base interactions energy: -94.831
where: short stacking energy: -94.028
Base-Backbone interact. energy: 2.059
local terms energy: -143.498167
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -919.868417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.868417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.868417 (E_RNA)
where:
Base-Base interactions energy: -659.526
where: short stacking energy: -277.995
Base-Backbone interact. energy: -1.984
local terms energy: -258.358654
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -49.867
flat angles C4'-P-C4' energy: -52.716
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -71.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -854.589972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.589972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.589972 (E_RNA)
where:
Base-Base interactions energy: -580.363
where: short stacking energy: -254.880
Base-Backbone interact. energy: -1.701
local terms energy: -272.526223
where:
bonds (distance) C4'-P energy: -52.109
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -71.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -842.498710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.498710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.498710 (E_RNA)
where:
Base-Base interactions energy: -576.570
where: short stacking energy: -258.616
Base-Backbone interact. energy: -0.545
local terms energy: -265.384029
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -50.856
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -69.214
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: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -813.327372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.327372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.327372 (E_RNA)
where:
Base-Base interactions energy: -563.847
where: short stacking energy: -267.879
Base-Backbone interact. energy: -0.293
local terms energy: -249.187626
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -78.446
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -710.319980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.319980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.319980 (E_RNA)
where:
Base-Base interactions energy: -458.250
where: short stacking energy: -220.004
Base-Backbone interact. energy: -0.732
local terms energy: -251.337800
where:
bonds (distance) C4'-P energy: -48.242
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -64.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -696.976379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.976379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.976379 (E_RNA)
where:
Base-Base interactions energy: -474.611
where: short stacking energy: -208.240
Base-Backbone interact. energy: -0.315
local terms energy: -222.050257
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -48.037
flat angles P-C4'-P energy: -32.232
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -564.440336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.440336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.440336 (E_RNA)
where:
Base-Base interactions energy: -373.559
where: short stacking energy: -164.230
Base-Backbone interact. energy: -0.900
local terms energy: -189.981354
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -42.857
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -33.827
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -545.121882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.121882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.121882 (E_RNA)
where:
Base-Base interactions energy: -342.362
where: short stacking energy: -153.807
Base-Backbone interact. energy: -0.133
local terms energy: -202.626638
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -33.357
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: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -490.412320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.412320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.412320 (E_RNA)
where:
Base-Base interactions energy: -295.830
where: short stacking energy: -136.013
Base-Backbone interact. energy: -1.072
local terms energy: -193.510893
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -49.527
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -229.733490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.733490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.733490 (E_RNA)
where:
Base-Base interactions energy: -93.533
where: short stacking energy: -63.999
Base-Backbone interact. energy: -1.328
local terms energy: -134.872789
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: 10.936
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: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -930.614178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.614178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.614178 (E_RNA)
where:
Base-Base interactions energy: -653.391
where: short stacking energy: -272.272
Base-Backbone interact. energy: -0.007
local terms energy: -277.215938
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -35.213
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: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -840.070336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.070336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.070336 (E_RNA)
where:
Base-Base interactions energy: -581.361
where: short stacking energy: -250.441
Base-Backbone interact. energy: 1.715
local terms energy: -260.424517
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -51.531
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -64.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -832.153617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.153617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.153617 (E_RNA)
where:
Base-Base interactions energy: -575.512
where: short stacking energy: -252.624
Base-Backbone interact. energy: -0.357
local terms energy: -256.284191
where:
bonds (distance) C4'-P energy: -43.743
bonds (distance) P-C4' energy: -48.872
flat angles C4'-P-C4' energy: -58.239
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -73.495
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -796.884779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.884779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.884779 (E_RNA)
where:
Base-Base interactions energy: -540.279
where: short stacking energy: -233.772
Base-Backbone interact. energy: -2.328
local terms energy: -254.276998
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -63.012
flat angles P-C4'-P energy: -33.637
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: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -737.524733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.524733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.524733 (E_RNA)
where:
Base-Base interactions energy: -503.608
where: short stacking energy: -235.247
Base-Backbone interact. energy: -0.935
local terms energy: -232.981662
where:
bonds (distance) C4'-P energy: -40.320
bonds (distance) P-C4' energy: -40.858
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -62.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -705.479424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.479424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.479424 (E_RNA)
where:
Base-Base interactions energy: -483.697
where: short stacking energy: -219.019
Base-Backbone interact. energy: 1.828
local terms energy: -223.610325
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -51.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -579.895880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.895880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.895880 (E_RNA)
where:
Base-Base interactions energy: -363.313
where: short stacking energy: -180.906
Base-Backbone interact. energy: -1.158
local terms energy: -215.424924
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -43.332
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -45.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -586.067690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.067690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.067690 (E_RNA)
where:
Base-Base interactions energy: -389.257
where: short stacking energy: -155.382
Base-Backbone interact. energy: -1.141
local terms energy: -195.670184
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -32.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -545.147975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.147975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.147975 (E_RNA)
where:
Base-Base interactions energy: -360.929
where: short stacking energy: -153.592
Base-Backbone interact. energy: -1.038
local terms energy: -183.180723
where:
bonds (distance) C4'-P energy: -45.734
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -38.604
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: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -227.935587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.935587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.935587 (E_RNA)
where:
Base-Base interactions energy: -91.140
where: short stacking energy: -82.769
Base-Backbone interact. energy: -2.092
local terms energy: -134.703147
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: 5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -917.406951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.406951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.406951 (E_RNA)
where:
Base-Base interactions energy: -636.714
where: short stacking energy: -253.304
Base-Backbone interact. energy: -2.664
local terms energy: -278.029168
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -67.009
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -69.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -868.508879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.508879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.508879 (E_RNA)
where:
Base-Base interactions energy: -582.900
where: short stacking energy: -284.369
Base-Backbone interact. energy: -0.253
local terms energy: -285.355646
where:
bonds (distance) C4'-P energy: -50.290
bonds (distance) P-C4' energy: -54.653
flat angles C4'-P-C4' energy: -61.747
flat angles P-C4'-P energy: -35.900
tors. eta vs tors. theta energy: -82.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -859.886792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.886792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.886792 (E_RNA)
where:
Base-Base interactions energy: -596.026
where: short stacking energy: -271.027
Base-Backbone interact. energy: -0.633
local terms energy: -263.226999
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -56.985
flat angles P-C4'-P energy: -35.800
tors. eta vs tors. theta energy: -77.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -831.961116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.961116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.961116 (E_RNA)
where:
Base-Base interactions energy: -562.400
where: short stacking energy: -242.343
Base-Backbone interact. energy: -0.351
local terms energy: -269.210403
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -75.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -723.487593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.487593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.487593 (E_RNA)
where:
Base-Base interactions energy: -484.386
where: short stacking energy: -223.235
Base-Backbone interact. energy: -1.567
local terms energy: -237.534853
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -55.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -710.317110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.317110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.317110 (E_RNA)
where:
Base-Base interactions energy: -474.496
where: short stacking energy: -208.791
Base-Backbone interact. energy: 1.644
local terms energy: -237.465571
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -52.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -618.866047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.866047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.866047 (E_RNA)
where:
Base-Base interactions energy: -416.044
where: short stacking energy: -182.711
Base-Backbone interact. energy: -1.192
local terms energy: -201.629585
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -49.830
flat angles C4'-P-C4' energy: -43.489
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -38.419
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -622.015428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.015428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.015428 (E_RNA)
where:
Base-Base interactions energy: -407.733
where: short stacking energy: -164.254
Base-Backbone interact. energy: -0.035
local terms energy: -214.247083
where:
bonds (distance) C4'-P energy: -54.800
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -42.282
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -40.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -542.820786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.820786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.820786 (E_RNA)
where:
Base-Base interactions energy: -354.037
where: short stacking energy: -155.721
Base-Backbone interact. energy: 1.024
local terms energy: -189.807684
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -37.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -221.485342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.485342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485342 (E_RNA)
where:
Base-Base interactions energy: -96.711
where: short stacking energy: -79.979
Base-Backbone interact. energy: 1.597
local terms energy: -126.370876
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: 10.417
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: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -924.441684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.441684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.441684 (E_RNA)
where:
Base-Base interactions energy: -642.197
where: short stacking energy: -268.789
Base-Backbone interact. energy: -2.067
local terms energy: -280.177799
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -56.372
flat angles C4'-P-C4' energy: -58.278
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -75.124
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: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -864.189447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.189447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.189447 (E_RNA)
where:
Base-Base interactions energy: -587.018
where: short stacking energy: -253.675
Base-Backbone interact. energy: 1.300
local terms energy: -278.471089
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -80.434
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: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -860.398610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.398610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.398610 (E_RNA)
where:
Base-Base interactions energy: -591.980
where: short stacking energy: -257.792
Base-Backbone interact. energy: 0.393
local terms energy: -268.811844
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -78.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -813.319931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.319931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.319931 (E_RNA)
where:
Base-Base interactions energy: -571.707
where: short stacking energy: -237.475
Base-Backbone interact. energy: -0.749
local terms energy: -240.864511
where:
bonds (distance) C4'-P energy: -43.388
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -65.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -742.074926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.074926 (E_RNA)
where:
Base-Base interactions energy: -490.297
where: short stacking energy: -221.091
Base-Backbone interact. energy: -1.227
local terms energy: -250.550861
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -54.078
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: -58.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -688.517036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.517036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.517036 (E_RNA)
where:
Base-Base interactions energy: -455.775
where: short stacking energy: -198.395
Base-Backbone interact. energy: -0.739
local terms energy: -232.002827
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -45.747
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -50.588
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -581.025419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.025419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.025419 (E_RNA)
where:
Base-Base interactions energy: -359.198
where: short stacking energy: -161.062
Base-Backbone interact. energy: -0.410
local terms energy: -221.417560
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -35.651
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: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -601.765163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.765163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.765163 (E_RNA)
where:
Base-Base interactions energy: -388.911
where: short stacking energy: -172.861
Base-Backbone interact. energy: -0.558
local terms energy: -212.296192
where:
bonds (distance) C4'-P energy: -49.398
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -48.324
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: -45.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -500.433817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.433817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.433817 (E_RNA)
where:
Base-Base interactions energy: -318.711
where: short stacking energy: -135.121
Base-Backbone interact. energy: -0.544
local terms energy: -181.179606
where:
bonds (distance) C4'-P energy: -40.635
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -25.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -226.541512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.541512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.541512 (E_RNA)
where:
Base-Base interactions energy: -75.907
where: short stacking energy: -71.485
Base-Backbone interact. energy: 1.575
local terms energy: -152.209855
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -920.368596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.368596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.368596 (E_RNA)
where:
Base-Base interactions energy: -645.665
where: short stacking energy: -261.678
Base-Backbone interact. energy: 1.147
local terms energy: -275.849862
where:
bonds (distance) C4'-P energy: -55.681
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -60.803
flat angles P-C4'-P energy: -46.792
tors. eta vs tors. theta energy: -67.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -880.571788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.571788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.571788 (E_RNA)
where:
Base-Base interactions energy: -598.541
where: short stacking energy: -257.797
Base-Backbone interact. energy: -0.834
local terms energy: -281.196551
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -62.041
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -79.072
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -836.508388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.508388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.508388 (E_RNA)
where:
Base-Base interactions energy: -575.490
where: short stacking energy: -262.495
Base-Backbone interact. energy: 0.509
local terms energy: -261.527375
where:
bonds (distance) C4'-P energy: -44.528
bonds (distance) P-C4' energy: -47.124
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -71.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -810.522114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.522114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.522114 (E_RNA)
where:
Base-Base interactions energy: -568.171
where: short stacking energy: -238.535
Base-Backbone interact. energy: -0.717
local terms energy: -241.633784
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -60.978
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: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -732.802457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.802457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.802457 (E_RNA)
where:
Base-Base interactions energy: -487.083
where: short stacking energy: -219.380
Base-Backbone interact. energy: 1.302
local terms energy: -247.020730
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -48.120
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -34.588
tors. eta vs tors. theta energy: -56.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -683.892233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.892233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.892233 (E_RNA)
where:
Base-Base interactions energy: -442.874
where: short stacking energy: -192.881
Base-Backbone interact. energy: -0.806
local terms energy: -240.212477
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -54.430
flat angles C4'-P-C4' energy: -49.461
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -59.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -574.578202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.578202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.578202 (E_RNA)
where:
Base-Base interactions energy: -376.363
where: short stacking energy: -160.727
Base-Backbone interact. energy: 0.765
local terms energy: -198.979760
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -46.526
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -33.651
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -609.366109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.366109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.366109 (E_RNA)
where:
Base-Base interactions energy: -391.619
where: short stacking energy: -176.816
Base-Backbone interact. energy: -0.594
local terms energy: -217.153608
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -46.086
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -38.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -452.979125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.979125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.979125 (E_RNA)
where:
Base-Base interactions energy: -281.750
where: short stacking energy: -134.009
Base-Backbone interact. energy: -0.423
local terms energy: -170.805564
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -220.690945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.690945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.690945 (E_RNA)
where:
Base-Base interactions energy: -70.964
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.462
local terms energy: -149.265076
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: 4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -902.111956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.111956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.111956 (E_RNA)
where:
Base-Base interactions energy: -612.953
where: short stacking energy: -265.553
Base-Backbone interact. energy: -0.734
local terms energy: -288.424804
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -58.724
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -78.778
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -898.442579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.442579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.442579 (E_RNA)
where:
Base-Base interactions energy: -617.904
where: short stacking energy: -238.057
Base-Backbone interact. energy: -2.646
local terms energy: -277.892806
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -58.306
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: -71.512
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -846.648695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.648695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.648695 (E_RNA)
where:
Base-Base interactions energy: -573.515
where: short stacking energy: -253.323
Base-Backbone interact. energy: -1.057
local terms energy: -272.076345
where:
bonds (distance) C4'-P energy: -53.418
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -74.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -820.337483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.337483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.337483 (E_RNA)
where:
Base-Base interactions energy: -568.168
where: short stacking energy: -242.599
Base-Backbone interact. energy: 3.649
local terms energy: -255.819058
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -68.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -740.396943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.396943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.396943 (E_RNA)
where:
Base-Base interactions energy: -481.148
where: short stacking energy: -218.743
Base-Backbone interact. energy: -0.760
local terms energy: -258.488525
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -54.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -699.776428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.776428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.776428 (E_RNA)
where:
Base-Base interactions energy: -459.424
where: short stacking energy: -213.743
Base-Backbone interact. energy: -1.191
local terms energy: -239.160531
where:
bonds (distance) C4'-P energy: -40.473
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -50.384
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -627.358919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.358919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.358919 (E_RNA)
where:
Base-Base interactions energy: -428.405
where: short stacking energy: -165.086
Base-Backbone interact. energy: 2.214
local terms energy: -201.167972
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -52.006
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -27.246
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: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -536.396918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.396918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.396918 (E_RNA)
where:
Base-Base interactions energy: -335.054
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.746
local terms energy: -200.596782
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -40.503
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -34.479
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: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -453.338919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.338919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.338919 (E_RNA)
where:
Base-Base interactions energy: -281.371
where: short stacking energy: -140.291
Base-Backbone interact. energy: 0.050
local terms energy: -172.018810
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -40.979
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -236.461174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.461174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.461174 (E_RNA)
where:
Base-Base interactions energy: -98.151
where: short stacking energy: -94.142
Base-Backbone interact. energy: -0.753
local terms energy: -137.557571
where:
bonds (distance) C4'-P energy: -42.773
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -33.556
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -908.331296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.331296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.331296 (E_RNA)
where:
Base-Base interactions energy: -615.396
where: short stacking energy: -276.516
Base-Backbone interact. energy: 0.253
local terms energy: -293.188287
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -39.558
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: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -910.992690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.992690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.992690 (E_RNA)
where:
Base-Base interactions energy: -638.129
where: short stacking energy: -263.691
Base-Backbone interact. energy: -0.091
local terms energy: -272.772385
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -61.695
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -73.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -883.811322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.811322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.811322 (E_RNA)
where:
Base-Base interactions energy: -588.857
where: short stacking energy: -269.598
Base-Backbone interact. energy: -0.552
local terms energy: -294.402227
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -80.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -849.969927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.969927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.969927 (E_RNA)
where:
Base-Base interactions energy: -573.013
where: short stacking energy: -250.235
Base-Backbone interact. energy: -2.402
local terms energy: -274.555356
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -38.738
tors. eta vs tors. theta energy: -75.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -716.377422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.377422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.377422 (E_RNA)
where:
Base-Base interactions energy: -481.782
where: short stacking energy: -210.653
Base-Backbone interact. energy: 2.920
local terms energy: -237.515432
where:
bonds (distance) C4'-P energy: -45.520
bonds (distance) P-C4' energy: -59.361
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -42.061
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -682.473361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.473361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.473361 (E_RNA)
where:
Base-Base interactions energy: -463.167
where: short stacking energy: -185.774
Base-Backbone interact. energy: 0.129
local terms energy: -219.435341
where:
bonds (distance) C4'-P energy: -45.220
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: -38.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -603.897555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.897555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.897555 (E_RNA)
where:
Base-Base interactions energy: -385.764
where: short stacking energy: -182.208
Base-Backbone interact. energy: -0.767
local terms energy: -217.366845
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -42.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -546.488118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.488118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.488118 (E_RNA)
where:
Base-Base interactions energy: -363.720
where: short stacking energy: -150.156
Base-Backbone interact. energy: -0.829
local terms energy: -181.939557
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -47.520
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -451.195540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.195540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.195540 (E_RNA)
where:
Base-Base interactions energy: -273.267
where: short stacking energy: -132.359
Base-Backbone interact. energy: 0.995
local terms energy: -178.923925
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -48.508
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -226.837034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.837034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.837034 (E_RNA)
where:
Base-Base interactions energy: -90.883
where: short stacking energy: -81.102
Base-Backbone interact. energy: 4.429
local terms energy: -140.382682
where:
bonds (distance) C4'-P energy: -44.881
bonds (distance) P-C4' energy: -37.880
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -918.004931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.004931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.004931 (E_RNA)
where:
Base-Base interactions energy: -651.313
where: short stacking energy: -271.757
Base-Backbone interact. energy: 0.805
local terms energy: -267.497155
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -75.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -869.393192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.393192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.393192 (E_RNA)
where:
Base-Base interactions energy: -595.837
where: short stacking energy: -263.762
Base-Backbone interact. energy: 1.025
local terms energy: -274.580523
where:
bonds (distance) C4'-P energy: -57.130
bonds (distance) P-C4' energy: -43.819
flat angles C4'-P-C4' energy: -57.687
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: -76.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -868.348360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.348360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.348360 (E_RNA)
where:
Base-Base interactions energy: -587.735
where: short stacking energy: -274.622
Base-Backbone interact. energy: -0.134
local terms energy: -280.479847
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -57.680
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -80.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -835.535516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.535516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.535516 (E_RNA)
where:
Base-Base interactions energy: -581.127
where: short stacking energy: -241.043
Base-Backbone interact. energy: 0.364
local terms energy: -254.772708
where:
bonds (distance) C4'-P energy: -48.215
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -51.649
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -67.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -722.733980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.733980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.733980 (E_RNA)
where:
Base-Base interactions energy: -491.254
where: short stacking energy: -212.765
Base-Backbone interact. energy: -0.654
local terms energy: -230.826194
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -52.388
flat angles P-C4'-P energy: -30.940
tors. eta vs tors. theta energy: -49.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -719.252611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.252611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.252611 (E_RNA)
where:
Base-Base interactions energy: -471.583
where: short stacking energy: -200.978
Base-Backbone interact. energy: -1.192
local terms energy: -246.476856
where:
bonds (distance) C4'-P energy: -51.232
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -43.502
tors. eta vs tors. theta energy: -54.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -596.783855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.783855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.783855 (E_RNA)
where:
Base-Base interactions energy: -385.596
where: short stacking energy: -169.205
Base-Backbone interact. energy: -0.875
local terms energy: -210.312862
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -47.846
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -33.997
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: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -532.750558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.750558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.750558 (E_RNA)
where:
Base-Base interactions energy: -349.684
where: short stacking energy: -154.136
Base-Backbone interact. energy: 0.475
local terms energy: -183.541968
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -36.934
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -29.017
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -443.794304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.794304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.794304 (E_RNA)
where:
Base-Base interactions energy: -263.098
where: short stacking energy: -123.470
Base-Backbone interact. energy: -1.665
local terms energy: -179.031127
where:
bonds (distance) C4'-P energy: -40.075
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -232.272595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.272595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.272595 (E_RNA)
where:
Base-Base interactions energy: -88.897
where: short stacking energy: -75.788
Base-Backbone interact. energy: 0.085
local terms energy: -143.459729
where:
bonds (distance) C4'-P energy: -51.118
bonds (distance) P-C4' energy: -39.448
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -923.443305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.443305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.443305 (E_RNA)
where:
Base-Base interactions energy: -642.747
where: short stacking energy: -268.965
Base-Backbone interact. energy: -1.703
local terms energy: -278.992776
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -74.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -890.084810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.084810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.084810 (E_RNA)
where:
Base-Base interactions energy: -618.180
where: short stacking energy: -275.527
Base-Backbone interact. energy: -0.696
local terms energy: -271.208314
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -53.761
flat angles P-C4'-P energy: -39.317
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: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -891.010637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.010637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.010637 (E_RNA)
where:
Base-Base interactions energy: -597.129
where: short stacking energy: -264.125
Base-Backbone interact. energy: 0.131
local terms energy: -294.012717
where:
bonds (distance) C4'-P energy: -56.232
bonds (distance) P-C4' energy: -57.172
flat angles C4'-P-C4' energy: -60.277
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -76.831
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: 301
Temperature: 1.050000
Total energy: -778.126111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.126111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.126111 (E_RNA)
where:
Base-Base interactions energy: -524.109
where: short stacking energy: -236.431
Base-Backbone interact. energy: -1.518
local terms energy: -252.499838
where:
bonds (distance) C4'-P energy: -44.617
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -57.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -734.631715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.631715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.631715 (E_RNA)
where:
Base-Base interactions energy: -493.258
where: short stacking energy: -209.935
Base-Backbone interact. energy: -0.949
local terms energy: -240.424488
where:
bonds (distance) C4'-P energy: -54.084
bonds (distance) P-C4' energy: -45.150
flat angles C4'-P-C4' energy: -49.951
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: -54.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -684.962983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.962983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.962983 (E_RNA)
where:
Base-Base interactions energy: -468.578
where: short stacking energy: -208.451
Base-Backbone interact. energy: -0.446
local terms energy: -215.938728
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -53.019
flat angles P-C4'-P energy: -35.363
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: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -639.217689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.217689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.217689 (E_RNA)
where:
Base-Base interactions energy: -427.065
where: short stacking energy: -188.475
Base-Backbone interact. energy: 0.227
local terms energy: -212.379868
where:
bonds (distance) C4'-P energy: -38.322
bonds (distance) P-C4' energy: -45.469
flat angles C4'-P-C4' energy: -48.453
flat angles P-C4'-P energy: -31.718
tors. eta vs tors. theta energy: -48.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -500.022464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.022464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.022464 (E_RNA)
where:
Base-Base interactions energy: -319.510
where: short stacking energy: -144.189
Base-Backbone interact. energy: -1.580
local terms energy: -178.932752
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -42.891
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -28.262
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: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -445.192310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.192310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.192310 (E_RNA)
where:
Base-Base interactions energy: -269.360
where: short stacking energy: -128.141
Base-Backbone interact. energy: 0.132
local terms energy: -175.964571
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -44.505
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -219.684829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684829 (E_RNA)
where:
Base-Base interactions energy: -79.214
where: short stacking energy: -61.810
Base-Backbone interact. energy: -2.003
local terms energy: -138.468162
where:
bonds (distance) C4'-P energy: -45.663
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -1.893
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: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -918.689533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.689533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.689533 (E_RNA)
where:
Base-Base interactions energy: -639.407
where: short stacking energy: -263.548
Base-Backbone interact. energy: -1.152
local terms energy: -278.131157
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -53.502
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -71.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -850.044489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.044489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.044489 (E_RNA)
where:
Base-Base interactions energy: -584.579
where: short stacking energy: -245.035
Base-Backbone interact. energy: -1.801
local terms energy: -263.664229
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -66.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -851.068954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.068954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.068954 (E_RNA)
where:
Base-Base interactions energy: -581.581
where: short stacking energy: -262.121
Base-Backbone interact. energy: 3.355
local terms energy: -272.842359
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -52.632
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -79.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -801.614384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.614384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.614384 (E_RNA)
where:
Base-Base interactions energy: -540.061
where: short stacking energy: -238.491
Base-Backbone interact. energy: -1.205
local terms energy: -260.348797
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -54.992
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -64.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -718.862735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.862735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.862735 (E_RNA)
where:
Base-Base interactions energy: -477.835
where: short stacking energy: -209.439
Base-Backbone interact. energy: -0.872
local terms energy: -240.155456
where:
bonds (distance) C4'-P energy: -47.731
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -46.085
flat angles P-C4'-P energy: -34.554
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -685.320496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.320496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.320496 (E_RNA)
where:
Base-Base interactions energy: -464.753
where: short stacking energy: -185.291
Base-Backbone interact. energy: -0.591
local terms energy: -219.976309
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -42.581
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: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -638.511405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.511405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.511405 (E_RNA)
where:
Base-Base interactions energy: -429.970
where: short stacking energy: -193.664
Base-Backbone interact. energy: 0.382
local terms energy: -208.923897
where:
bonds (distance) C4'-P energy: -42.231
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -42.906
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -511.457535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.457535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.457535 (E_RNA)
where:
Base-Base interactions energy: -321.420
where: short stacking energy: -144.578
Base-Backbone interact. energy: 0.491
local terms energy: -190.528359
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -29.135
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: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -454.527363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.527363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.527363 (E_RNA)
where:
Base-Base interactions energy: -288.666
where: short stacking energy: -138.160
Base-Backbone interact. energy: -1.350
local terms energy: -164.511301
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -24.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -250.884024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.884024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.884024 (E_RNA)
where:
Base-Base interactions energy: -84.412
where: short stacking energy: -76.188
Base-Backbone interact. energy: 0.012
local terms energy: -166.483688
where:
bonds (distance) C4'-P energy: -41.068
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -911.088465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.088465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.088465 (E_RNA)
where:
Base-Base interactions energy: -622.709
where: short stacking energy: -270.769
Base-Backbone interact. energy: -2.864
local terms energy: -285.515572
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -64.162
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -69.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -868.782691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.782691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.782691 (E_RNA)
where:
Base-Base interactions energy: -596.523
where: short stacking energy: -264.849
Base-Backbone interact. energy: -2.199
local terms energy: -270.060713
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -40.514
tors. eta vs tors. theta energy: -74.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -836.813272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.813272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.813272 (E_RNA)
where:
Base-Base interactions energy: -585.951
where: short stacking energy: -256.455
Base-Backbone interact. energy: 0.162
local terms energy: -251.023981
where:
bonds (distance) C4'-P energy: -45.001
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -50.424
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -74.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -795.817259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.817259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.817259 (E_RNA)
where:
Base-Base interactions energy: -539.738
where: short stacking energy: -240.568
Base-Backbone interact. energy: 0.336
local terms energy: -256.415247
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -47.904
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -62.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -721.512765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.512765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.512765 (E_RNA)
where:
Base-Base interactions energy: -499.883
where: short stacking energy: -218.588
Base-Backbone interact. energy: -0.134
local terms energy: -221.496297
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -46.437
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -49.229
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -653.653971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.653971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.653971 (E_RNA)
where:
Base-Base interactions energy: -454.826
where: short stacking energy: -202.209
Base-Backbone interact. energy: 1.136
local terms energy: -199.963487
where:
bonds (distance) C4'-P energy: -39.697
bonds (distance) P-C4' energy: -54.831
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -45.748
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: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -626.067717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.067717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.067717 (E_RNA)
where:
Base-Base interactions energy: -418.621
where: short stacking energy: -190.241
Base-Backbone interact. energy: -0.347
local terms energy: -207.099406
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -48.426
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -35.839
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: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -483.159895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.159895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.159895 (E_RNA)
where:
Base-Base interactions energy: -280.281
where: short stacking energy: -153.191
Base-Backbone interact. energy: 0.083
local terms energy: -202.961838
where:
bonds (distance) C4'-P energy: -48.371
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -455.011821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.011821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.011821 (E_RNA)
where:
Base-Base interactions energy: -275.439
where: short stacking energy: -138.868
Base-Backbone interact. energy: -0.347
local terms energy: -179.225919
where:
bonds (distance) C4'-P energy: -45.920
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -50.891
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -226.951701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.951701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.951701 (E_RNA)
where:
Base-Base interactions energy: -75.405
where: short stacking energy: -71.801
Base-Backbone interact. energy: 1.676
local terms energy: -153.223076
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -30.105
tors. eta vs tors. theta energy: 13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -914.792929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.792929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.792929 (E_RNA)
where:
Base-Base interactions energy: -640.507
where: short stacking energy: -275.253
Base-Backbone interact. energy: 1.409
local terms energy: -275.695282
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -36.760
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: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -855.280349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.280349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.280349 (E_RNA)
where:
Base-Base interactions energy: -565.628
where: short stacking energy: -257.427
Base-Backbone interact. energy: -1.737
local terms energy: -287.915668
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -55.250
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -40.995
tors. eta vs tors. theta energy: -78.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -857.007705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.007705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.007705 (E_RNA)
where:
Base-Base interactions energy: -584.269
where: short stacking energy: -267.184
Base-Backbone interact. energy: -1.148
local terms energy: -271.590591
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -43.995
flat angles C4'-P-C4' energy: -62.377
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -73.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -828.582501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.582501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.582501 (E_RNA)
where:
Base-Base interactions energy: -542.164
where: short stacking energy: -253.412
Base-Backbone interact. energy: -3.614
local terms energy: -282.804789
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -60.241
flat angles P-C4'-P energy: -41.629
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: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -732.640608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.640608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.640608 (E_RNA)
where:
Base-Base interactions energy: -513.391
where: short stacking energy: -210.662
Base-Backbone interact. energy: -0.627
local terms energy: -218.622347
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -51.428
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -50.352
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: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -695.541086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.541086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.541086 (E_RNA)
where:
Base-Base interactions energy: -479.575
where: short stacking energy: -195.501
Base-Backbone interact. energy: -2.365
local terms energy: -213.601221
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -46.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -595.028525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.028525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.028525 (E_RNA)
where:
Base-Base interactions energy: -388.658
where: short stacking energy: -169.945
Base-Backbone interact. energy: 0.831
local terms energy: -207.201195
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -34.895
tors. eta vs tors. theta energy: -41.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -477.786477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.786477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.786477 (E_RNA)
where:
Base-Base interactions energy: -284.700
where: short stacking energy: -124.040
Base-Backbone interact. energy: -0.482
local terms energy: -192.604651
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -20.997
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: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -449.873886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.873886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.873886 (E_RNA)
where:
Base-Base interactions energy: -278.189
where: short stacking energy: -128.722
Base-Backbone interact. energy: -1.774
local terms energy: -169.911301
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -227.592864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592864 (E_RNA)
where:
Base-Base interactions energy: -76.641
where: short stacking energy: -64.023
Base-Backbone interact. energy: -1.339
local terms energy: -149.613719
where:
bonds (distance) C4'-P energy: -45.697
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -48.742
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: 7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -901.369318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.369318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.369318 (E_RNA)
where:
Base-Base interactions energy: -638.569
where: short stacking energy: -263.185
Base-Backbone interact. energy: 0.832
local terms energy: -263.633069
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -47.680
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -36.148
tors. eta vs tors. theta energy: -69.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -858.394080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.394080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.394080 (E_RNA)
where:
Base-Base interactions energy: -591.782
where: short stacking energy: -264.475
Base-Backbone interact. energy: 0.197
local terms energy: -266.809257
where:
bonds (distance) C4'-P energy: -39.016
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -38.921
tors. eta vs tors. theta energy: -80.757
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: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -832.149707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.149707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.149707 (E_RNA)
where:
Base-Base interactions energy: -565.504
where: short stacking energy: -241.251
Base-Backbone interact. energy: -0.507
local terms energy: -266.138919
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -46.350
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -65.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -745.256587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.256587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.256587 (E_RNA)
where:
Base-Base interactions energy: -522.566
where: short stacking energy: -225.092
Base-Backbone interact. energy: 2.347
local terms energy: -225.038190
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -48.291
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: -52.885
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: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -811.775793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.775793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.775793 (E_RNA)
where:
Base-Base interactions energy: -555.515
where: short stacking energy: -240.631
Base-Backbone interact. energy: -0.437
local terms energy: -255.823273
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -34.933
tors. eta vs tors. theta energy: -74.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -700.859126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.859126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.859126 (E_RNA)
where:
Base-Base interactions energy: -482.274
where: short stacking energy: -195.711
Base-Backbone interact. energy: -1.358
local terms energy: -217.227743
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -44.342
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: 305
Temperature: 1.200000
Total energy: -592.928658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.928658 (E_RNA)
where:
Base-Base interactions energy: -381.132
where: short stacking energy: -156.664
Base-Backbone interact. energy: -0.776
local terms energy: -211.021169
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -514.985991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.985991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.985991 (E_RNA)
where:
Base-Base interactions energy: -294.943
where: short stacking energy: -161.814
Base-Backbone interact. energy: -0.335
local terms energy: -219.707537
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -47.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -395.168455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.168455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.168455 (E_RNA)
where:
Base-Base interactions energy: -210.184
where: short stacking energy: -110.744
Base-Backbone interact. energy: 2.612
local terms energy: -187.596242
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -228.158264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.158264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.158264 (E_RNA)
where:
Base-Base interactions energy: -79.720
where: short stacking energy: -63.812
Base-Backbone interact. energy: -2.068
local terms energy: -146.369666
where:
bonds (distance) C4'-P energy: -41.510
bonds (distance) P-C4' energy: -41.174
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -924.782531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.782531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.782531 (E_RNA)
where:
Base-Base interactions energy: -642.745
where: short stacking energy: -255.958
Base-Backbone interact. energy: -1.536
local terms energy: -280.501324
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -61.926
flat angles C4'-P-C4' energy: -61.563
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -68.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -851.229386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.229386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.229386 (E_RNA)
where:
Base-Base interactions energy: -581.672
where: short stacking energy: -258.716
Base-Backbone interact. energy: -0.655
local terms energy: -268.902412
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -55.353
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -75.212
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: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -858.553631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.553631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.553631 (E_RNA)
where:
Base-Base interactions energy: -586.654
where: short stacking energy: -257.469
Base-Backbone interact. energy: -1.924
local terms energy: -269.975383
where:
bonds (distance) C4'-P energy: -49.731
bonds (distance) P-C4' energy: -53.991
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -71.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -757.281931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.281931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.281931 (E_RNA)
where:
Base-Base interactions energy: -520.131
where: short stacking energy: -237.221
Base-Backbone interact. energy: 0.124
local terms energy: -237.275253
where:
bonds (distance) C4'-P energy: -47.031
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -33.750
tors. eta vs tors. theta energy: -56.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -799.061499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.061499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.061499 (E_RNA)
where:
Base-Base interactions energy: -551.016
where: short stacking energy: -241.911
Base-Backbone interact. energy: -1.197
local terms energy: -246.849083
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -40.912
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -72.290
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: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -684.175516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.175516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.175516 (E_RNA)
where:
Base-Base interactions energy: -442.384
where: short stacking energy: -197.973
Base-Backbone interact. energy: -1.182
local terms energy: -240.609495
where:
bonds (distance) C4'-P energy: -51.554
bonds (distance) P-C4' energy: -54.681
flat angles C4'-P-C4' energy: -54.636
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -47.570
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: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -580.149565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.149565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.149565 (E_RNA)
where:
Base-Base interactions energy: -379.454
where: short stacking energy: -166.577
Base-Backbone interact. energy: -0.427
local terms energy: -200.268527
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -48.352
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -40.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -481.734460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.734460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.734460 (E_RNA)
where:
Base-Base interactions energy: -294.548
where: short stacking energy: -147.194
Base-Backbone interact. energy: -1.495
local terms energy: -185.691162
where:
bonds (distance) C4'-P energy: -42.348
bonds (distance) P-C4' energy: -45.880
flat angles C4'-P-C4' energy: -41.663
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -434.316021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.316021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.316021 (E_RNA)
where:
Base-Base interactions energy: -270.398
where: short stacking energy: -143.161
Base-Backbone interact. energy: -0.473
local terms energy: -163.444573
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -246.132467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.132467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.132467 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -68.448
Base-Backbone interact. energy: -1.559
local terms energy: -150.658785
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: 0.417
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: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -906.581637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.581637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.581637 (E_RNA)
where:
Base-Base interactions energy: -634.892
where: short stacking energy: -263.937
Base-Backbone interact. energy: -1.462
local terms energy: -270.228182
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -60.884
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -71.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -853.859463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.859463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.859463 (E_RNA)
where:
Base-Base interactions energy: -562.604
where: short stacking energy: -265.363
Base-Backbone interact. energy: -0.526
local terms energy: -290.729302
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -76.340
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: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -856.139192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.139192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.139192 (E_RNA)
where:
Base-Base interactions energy: -590.731
where: short stacking energy: -253.142
Base-Backbone interact. energy: -0.530
local terms energy: -264.878190
where:
bonds (distance) C4'-P energy: -46.625
bonds (distance) P-C4' energy: -54.985
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -62.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -836.100683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.100683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.100683 (E_RNA)
where:
Base-Base interactions energy: -560.848
where: short stacking energy: -251.331
Base-Backbone interact. energy: 4.286
local terms energy: -279.539446
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -55.566
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -81.872
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: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -735.853116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.853116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.853116 (E_RNA)
where:
Base-Base interactions energy: -494.127
where: short stacking energy: -221.166
Base-Backbone interact. energy: -0.292
local terms energy: -241.433663
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -49.801
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -29.454
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: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -670.024478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.024478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.024478 (E_RNA)
where:
Base-Base interactions energy: -437.829
where: short stacking energy: -207.030
Base-Backbone interact. energy: -0.395
local terms energy: -231.800319
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -44.182
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -46.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -577.525877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.525877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.525877 (E_RNA)
where:
Base-Base interactions energy: -371.789
where: short stacking energy: -164.462
Base-Backbone interact. energy: -2.236
local terms energy: -203.500930
where:
bonds (distance) C4'-P energy: -47.059
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -42.051
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: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -500.654026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.654026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.654026 (E_RNA)
where:
Base-Base interactions energy: -296.231
where: short stacking energy: -151.016
Base-Backbone interact. energy: -0.867
local terms energy: -203.556025
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -50.558
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -411.198733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.198733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.198733 (E_RNA)
where:
Base-Base interactions energy: -218.334
where: short stacking energy: -122.611
Base-Backbone interact. energy: -1.475
local terms energy: -191.390243
where:
bonds (distance) C4'-P energy: -43.758
bonds (distance) P-C4' energy: -39.724
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -221.608480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.608480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.608480 (E_RNA)
where:
Base-Base interactions energy: -68.668
where: short stacking energy: -61.290
Base-Backbone interact. energy: 1.526
local terms energy: -154.465884
where:
bonds (distance) C4'-P energy: -51.035
bonds (distance) P-C4' energy: -50.331
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -885.639575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.639575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.639575 (E_RNA)
where:
Base-Base interactions energy: -591.393
where: short stacking energy: -272.978
Base-Backbone interact. energy: -0.047
local terms energy: -294.199892
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -63.024
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -81.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -885.389143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.389143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.389143 (E_RNA)
where:
Base-Base interactions energy: -613.338
where: short stacking energy: -260.792
Base-Backbone interact. energy: 0.369
local terms energy: -272.419763
where:
bonds (distance) C4'-P energy: -56.918
bonds (distance) P-C4' energy: -56.279
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -65.086
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -835.413098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.413098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.413098 (E_RNA)
where:
Base-Base interactions energy: -577.225
where: short stacking energy: -255.828
Base-Backbone interact. energy: 1.089
local terms energy: -259.276859
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -35.906
tors. eta vs tors. theta energy: -66.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -815.442849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.442849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.442849 (E_RNA)
where:
Base-Base interactions energy: -543.713
where: short stacking energy: -247.980
Base-Backbone interact. energy: -0.532
local terms energy: -271.197364
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -74.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -716.286317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.286317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.286317 (E_RNA)
where:
Base-Base interactions energy: -468.758
where: short stacking energy: -203.669
Base-Backbone interact. energy: -1.834
local terms energy: -245.694012
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -55.692
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -651.798662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.798662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.798662 (E_RNA)
where:
Base-Base interactions energy: -442.580
where: short stacking energy: -188.791
Base-Backbone interact. energy: -0.752
local terms energy: -208.466759
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -36.850
tors. eta vs tors. theta energy: -45.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -575.214193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.214193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.214193 (E_RNA)
where:
Base-Base interactions energy: -359.944
where: short stacking energy: -155.450
Base-Backbone interact. energy: -0.496
local terms energy: -214.773447
where:
bonds (distance) C4'-P energy: -55.519
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -49.438
flat angles P-C4'-P energy: -34.012
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -499.741187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.741187 (E_RNA)
where:
Base-Base interactions energy: -317.255
where: short stacking energy: -137.955
Base-Backbone interact. energy: -0.736
local terms energy: -181.750070
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -43.339
flat angles C4'-P-C4' energy: -49.871
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -440.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.009675 (E_RNA)
where:
Base-Base interactions energy: -260.768
where: short stacking energy: -119.401
Base-Backbone interact. energy: 2.927
local terms energy: -182.169510
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -41.190
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -228.000867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.000867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.000867 (E_RNA)
where:
Base-Base interactions energy: -69.845
where: short stacking energy: -63.693
Base-Backbone interact. energy: 3.114
local terms energy: -161.268934
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -893.466259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.466259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.466259 (E_RNA)
where:
Base-Base interactions energy: -610.098
where: short stacking energy: -274.589
Base-Backbone interact. energy: 0.031
local terms energy: -283.399192
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -59.180
flat angles P-C4'-P energy: -45.743
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: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -888.751567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.751567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.751567 (E_RNA)
where:
Base-Base interactions energy: -627.801
where: short stacking energy: -261.989
Base-Backbone interact. energy: -1.755
local terms energy: -259.196162
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -53.122
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -814.425803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.425803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.425803 (E_RNA)
where:
Base-Base interactions energy: -559.563
where: short stacking energy: -244.116
Base-Backbone interact. energy: -1.120
local terms energy: -253.742793
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -62.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -829.840558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.840558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.840558 (E_RNA)
where:
Base-Base interactions energy: -555.008
where: short stacking energy: -271.503
Base-Backbone interact. energy: -1.021
local terms energy: -273.811356
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -82.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -693.789818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.789818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.789818 (E_RNA)
where:
Base-Base interactions energy: -468.821
where: short stacking energy: -200.822
Base-Backbone interact. energy: 0.433
local terms energy: -225.401367
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -55.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -567.920772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.920772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.920772 (E_RNA)
where:
Base-Base interactions energy: -361.489
where: short stacking energy: -167.934
Base-Backbone interact. energy: 0.729
local terms energy: -207.160273
where:
bonds (distance) C4'-P energy: -43.971
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -35.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -643.376928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.376928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.376928 (E_RNA)
where:
Base-Base interactions energy: -433.839
where: short stacking energy: -166.450
Base-Backbone interact. energy: -0.298
local terms energy: -209.240106
where:
bonds (distance) C4'-P energy: -40.596
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -433.543871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.543871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.543871 (E_RNA)
where:
Base-Base interactions energy: -251.706
where: short stacking energy: -133.252
Base-Backbone interact. energy: 3.960
local terms energy: -185.797195
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -49.472
flat angles C4'-P-C4' energy: -48.583
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -466.044053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.044053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.044053 (E_RNA)
where:
Base-Base interactions energy: -282.302
where: short stacking energy: -119.340
Base-Backbone interact. energy: -0.936
local terms energy: -182.805932
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -43.224
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -233.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.074828 (E_RNA)
where:
Base-Base interactions energy: -64.490
where: short stacking energy: -42.698
Base-Backbone interact. energy: 2.955
local terms energy: -171.539751
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -42.901
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -890.923231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.923231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.923231 (E_RNA)
where:
Base-Base interactions energy: -600.037
where: short stacking energy: -251.722
Base-Backbone interact. energy: 1.073
local terms energy: -291.959194
where:
bonds (distance) C4'-P energy: -61.154
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -61.345
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -64.584
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: 310
Temperature: 0.950000
Total energy: -881.811550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.811550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.811550 (E_RNA)
where:
Base-Base interactions energy: -600.735
where: short stacking energy: -257.574
Base-Backbone interact. energy: 1.129
local terms energy: -282.204604
where:
bonds (distance) C4'-P energy: -50.859
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: -76.907
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: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -854.670281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.670281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.670281 (E_RNA)
where:
Base-Base interactions energy: -565.891
where: short stacking energy: -257.329
Base-Backbone interact. energy: 0.100
local terms energy: -288.879583
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -54.148
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: -81.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -793.944169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.944169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.944169 (E_RNA)
where:
Base-Base interactions energy: -533.715
where: short stacking energy: -235.398
Base-Backbone interact. energy: 0.781
local terms energy: -261.010287
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -32.045
tors. eta vs tors. theta energy: -64.065
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: 310
Temperature: 1.100000
Total energy: -737.377593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.377593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.377593 (E_RNA)
where:
Base-Base interactions energy: -495.994
where: short stacking energy: -226.703
Base-Backbone interact. energy: -1.420
local terms energy: -239.963141
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -52.137
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -62.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -597.249449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.249449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.249449 (E_RNA)
where:
Base-Base interactions energy: -386.975
where: short stacking energy: -174.949
Base-Backbone interact. energy: -0.888
local terms energy: -209.386652
where:
bonds (distance) C4'-P energy: -34.255
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -44.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -650.043215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.043215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.043215 (E_RNA)
where:
Base-Base interactions energy: -440.454
where: short stacking energy: -182.817
Base-Backbone interact. energy: -0.068
local terms energy: -209.521005
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -44.745
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -36.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -417.745023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.745023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.745023 (E_RNA)
where:
Base-Base interactions energy: -237.114
where: short stacking energy: -127.538
Base-Backbone interact. energy: -0.254
local terms energy: -180.377048
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -462.046480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.046480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.046480 (E_RNA)
where:
Base-Base interactions energy: -265.078
where: short stacking energy: -146.023
Base-Backbone interact. energy: -0.464
local terms energy: -196.504844
where:
bonds (distance) C4'-P energy: -48.113
bonds (distance) P-C4' energy: -45.302
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -247.300831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.300831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.300831 (E_RNA)
where:
Base-Base interactions energy: -103.157
where: short stacking energy: -88.017
Base-Backbone interact. energy: -0.756
local terms energy: -143.388395
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -42.750
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -904.008521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.008521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.008521 (E_RNA)
where:
Base-Base interactions energy: -635.740
where: short stacking energy: -256.136
Base-Backbone interact. energy: 0.901
local terms energy: -269.169097
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -55.232
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -67.177
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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -855.230362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.230362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.230362 (E_RNA)
where:
Base-Base interactions energy: -579.205
where: short stacking energy: -245.328
Base-Backbone interact. energy: -1.246
local terms energy: -274.779437
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -57.963
flat angles P-C4'-P energy: -43.701
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -847.310295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.310295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.310295 (E_RNA)
where:
Base-Base interactions energy: -582.075
where: short stacking energy: -257.295
Base-Backbone interact. energy: -0.853
local terms energy: -264.381587
where:
bonds (distance) C4'-P energy: -47.910
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -71.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -769.138816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.138816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.138816 (E_RNA)
where:
Base-Base interactions energy: -521.084
where: short stacking energy: -257.957
Base-Backbone interact. energy: -0.225
local terms energy: -247.830575
where:
bonds (distance) C4'-P energy: -37.681
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -56.640
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -77.048
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -792.302560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.302560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.302560 (E_RNA)
where:
Base-Base interactions energy: -541.574
where: short stacking energy: -235.303
Base-Backbone interact. energy: -2.088
local terms energy: -248.640393
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -661.874127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.874127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.874127 (E_RNA)
where:
Base-Base interactions energy: -449.110
where: short stacking energy: -185.232
Base-Backbone interact. energy: 0.237
local terms energy: -213.001203
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -643.463416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.463416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.463416 (E_RNA)
where:
Base-Base interactions energy: -415.380
where: short stacking energy: -200.312
Base-Backbone interact. energy: -0.713
local terms energy: -227.370516
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -50.752
flat angles C4'-P-C4' energy: -47.266
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -50.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -445.897279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.897279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.897279 (E_RNA)
where:
Base-Base interactions energy: -257.625
where: short stacking energy: -130.058
Base-Backbone interact. energy: -2.192
local terms energy: -186.080489
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -403.493222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.493222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.493222 (E_RNA)
where:
Base-Base interactions energy: -227.217
where: short stacking energy: -116.175
Base-Backbone interact. energy: -0.946
local terms energy: -175.330593
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -219.474312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.474312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.474312 (E_RNA)
where:
Base-Base interactions energy: -80.884
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.952
local terms energy: -137.639162
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -910.036948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.036948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.036948 (E_RNA)
where:
Base-Base interactions energy: -641.982
where: short stacking energy: -257.779
Base-Backbone interact. energy: -2.213
local terms energy: -265.842262
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -66.634
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: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -865.375646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.375646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.375646 (E_RNA)
where:
Base-Base interactions energy: -586.069
where: short stacking energy: -264.296
Base-Backbone interact. energy: -0.347
local terms energy: -278.959840
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -54.437
flat angles C4'-P-C4' energy: -61.092
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -75.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -837.235164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.235164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.235164 (E_RNA)
where:
Base-Base interactions energy: -571.268
where: short stacking energy: -257.702
Base-Backbone interact. energy: -0.954
local terms energy: -265.013365
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -45.299
flat angles C4'-P-C4' energy: -49.024
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: -79.965
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: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -782.408025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.408025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.408025 (E_RNA)
where:
Base-Base interactions energy: -531.729
where: short stacking energy: -249.337
Base-Backbone interact. energy: -1.437
local terms energy: -249.241567
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -44.751
flat angles C4'-P-C4' energy: -50.549
flat angles P-C4'-P energy: -35.779
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: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -799.532931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.532931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.532931 (E_RNA)
where:
Base-Base interactions energy: -546.059
where: short stacking energy: -238.813
Base-Backbone interact. energy: -0.838
local terms energy: -252.635727
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -63.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -653.640687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.640687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.640687 (E_RNA)
where:
Base-Base interactions energy: -447.035
where: short stacking energy: -182.087
Base-Backbone interact. energy: 2.633
local terms energy: -209.239025
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -34.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -594.547596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.547596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.547596 (E_RNA)
where:
Base-Base interactions energy: -394.738
where: short stacking energy: -167.132
Base-Backbone interact. energy: -0.769
local terms energy: -199.040487
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -35.589
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: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -475.248078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.248078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.248078 (E_RNA)
where:
Base-Base interactions energy: -293.194
where: short stacking energy: -141.281
Base-Backbone interact. energy: -0.856
local terms energy: -181.198285
where:
bonds (distance) C4'-P energy: -43.686
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -30.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -388.567148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.567148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.567148 (E_RNA)
where:
Base-Base interactions energy: -210.064
where: short stacking energy: -110.105
Base-Backbone interact. energy: 2.419
local terms energy: -180.922113
where:
bonds (distance) C4'-P energy: -52.148
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -267.294837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.294837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.294837 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -86.369
Base-Backbone interact. energy: -0.984
local terms energy: -142.774644
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -905.442447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.442447 (E_RNA)
where:
Base-Base interactions energy: -635.975
where: short stacking energy: -264.744
Base-Backbone interact. energy: -1.472
local terms energy: -267.995818
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -70.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -872.916908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.916908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.916908 (E_RNA)
where:
Base-Base interactions energy: -603.006
where: short stacking energy: -274.390
Base-Backbone interact. energy: -0.180
local terms energy: -269.730826
where:
bonds (distance) C4'-P energy: -43.312
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -75.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -847.172437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.172437 (E_RNA)
where:
Base-Base interactions energy: -576.116
where: short stacking energy: -254.695
Base-Backbone interact. energy: -1.633
local terms energy: -269.423216
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: -73.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -801.167891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.167891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.167891 (E_RNA)
where:
Base-Base interactions energy: -541.905
where: short stacking energy: -234.105
Base-Backbone interact. energy: -1.315
local terms energy: -257.948209
where:
bonds (distance) C4'-P energy: -56.416
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -63.706
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: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -715.063752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.063752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.063752 (E_RNA)
where:
Base-Base interactions energy: -466.686
where: short stacking energy: -217.956
Base-Backbone interact. energy: -0.123
local terms energy: -248.254677
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: -52.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -645.933900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.933900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.933900 (E_RNA)
where:
Base-Base interactions energy: -424.007
where: short stacking energy: -181.063
Base-Backbone interact. energy: -0.683
local terms energy: -221.243716
where:
bonds (distance) C4'-P energy: -41.504
bonds (distance) P-C4' energy: -54.779
flat angles C4'-P-C4' energy: -49.616
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -45.526
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: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -641.307992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.307992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.307992 (E_RNA)
where:
Base-Base interactions energy: -411.996
where: short stacking energy: -175.269
Base-Backbone interact. energy: -1.144
local terms energy: -228.168139
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -51.503
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: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -491.617074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.617074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.617074 (E_RNA)
where:
Base-Base interactions energy: -296.287
where: short stacking energy: -143.802
Base-Backbone interact. energy: -0.812
local terms energy: -194.518248
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -53.105
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -375.154749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.154749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.154749 (E_RNA)
where:
Base-Base interactions energy: -193.936
where: short stacking energy: -92.231
Base-Backbone interact. energy: 2.059
local terms energy: -183.278134
where:
bonds (distance) C4'-P energy: -48.506
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -19.223
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: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -246.330352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.330352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.330352 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -67.311
Base-Backbone interact. energy: 3.171
local terms energy: -133.543456
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -46.820
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: 7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -918.206705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.206705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.206705 (E_RNA)
where:
Base-Base interactions energy: -652.627
where: short stacking energy: -253.523
Base-Backbone interact. energy: -1.563
local terms energy: -264.016276
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -47.464
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -66.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -877.020631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.020631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.020631 (E_RNA)
where:
Base-Base interactions energy: -583.007
where: short stacking energy: -260.991
Base-Backbone interact. energy: -2.562
local terms energy: -291.451830
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -53.466
flat angles C4'-P-C4' energy: -64.163
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -72.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -869.540243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.540243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.540243 (E_RNA)
where:
Base-Base interactions energy: -594.075
where: short stacking energy: -270.056
Base-Backbone interact. energy: -1.491
local terms energy: -273.974233
where:
bonds (distance) C4'-P energy: -47.402
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -57.641
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -78.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -804.861307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.861307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.861307 (E_RNA)
where:
Base-Base interactions energy: -559.398
where: short stacking energy: -248.429
Base-Backbone interact. energy: -1.427
local terms energy: -244.036086
where:
bonds (distance) C4'-P energy: -40.962
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -68.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -718.014387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.014387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.014387 (E_RNA)
where:
Base-Base interactions energy: -477.789
where: short stacking energy: -204.202
Base-Backbone interact. energy: -1.062
local terms energy: -239.162800
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -49.996
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -55.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -623.476662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.476662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.476662 (E_RNA)
where:
Base-Base interactions energy: -402.490
where: short stacking energy: -173.455
Base-Backbone interact. energy: -0.116
local terms energy: -220.870321
where:
bonds (distance) C4'-P energy: -47.990
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -50.311
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -42.099
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: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -665.713697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.713697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.713697 (E_RNA)
where:
Base-Base interactions energy: -449.772
where: short stacking energy: -196.270
Base-Backbone interact. energy: 1.237
local terms energy: -217.178868
where:
bonds (distance) C4'-P energy: -48.870
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -50.576
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -37.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -468.107480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.107480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.107480 (E_RNA)
where:
Base-Base interactions energy: -279.681
where: short stacking energy: -141.509
Base-Backbone interact. energy: 0.052
local terms energy: -188.478723
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -50.635
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -367.139371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.139371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.139371 (E_RNA)
where:
Base-Base interactions energy: -197.832
where: short stacking energy: -105.062
Base-Backbone interact. energy: -0.619
local terms energy: -168.688414
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -26.360
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: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -218.797832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.797832 (E_RNA)
where:
Base-Base interactions energy: -80.688
where: short stacking energy: -65.383
Base-Backbone interact. energy: 0.300
local terms energy: -138.409791
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: 6.070
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -922.264986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.264986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.264986 (E_RNA)
where:
Base-Base interactions energy: -648.571
where: short stacking energy: -269.580
Base-Backbone interact. energy: 5.086
local terms energy: -278.780857
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -57.246
flat angles C4'-P-C4' energy: -61.179
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -81.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -873.512835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.512835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.512835 (E_RNA)
where:
Base-Base interactions energy: -577.142
where: short stacking energy: -263.978
Base-Backbone interact. energy: -1.179
local terms energy: -295.191692
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -56.142
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -39.703
tors. eta vs tors. theta energy: -84.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -824.351666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.351666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.351666 (E_RNA)
where:
Base-Base interactions energy: -561.601
where: short stacking energy: -249.536
Base-Backbone interact. energy: -0.683
local terms energy: -262.068211
where:
bonds (distance) C4'-P energy: -42.367
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -62.538
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -74.937
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -854.282006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.282006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.282006 (E_RNA)
where:
Base-Base interactions energy: -580.059
where: short stacking energy: -265.911
Base-Backbone interact. energy: -0.984
local terms energy: -273.239161
where:
bonds (distance) C4'-P energy: -44.397
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -60.514
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -76.642
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -720.511423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.511423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.511423 (E_RNA)
where:
Base-Base interactions energy: -478.770
where: short stacking energy: -213.590
Base-Backbone interact. energy: -0.321
local terms energy: -241.420929
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -42.558
flat angles C4'-P-C4' energy: -57.481
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -61.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -694.114821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.114821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.114821 (E_RNA)
where:
Base-Base interactions energy: -469.316
where: short stacking energy: -218.414
Base-Backbone interact. energy: -0.657
local terms energy: -224.141907
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -45.934
flat angles C4'-P-C4' energy: -45.386
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: -57.433
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: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -618.497297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.497297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.497297 (E_RNA)
where:
Base-Base interactions energy: -388.015
where: short stacking energy: -177.875
Base-Backbone interact. energy: 0.622
local terms energy: -231.104419
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -43.325
flat angles C4'-P-C4' energy: -50.736
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -49.827
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -488.812416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.812416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.812416 (E_RNA)
where:
Base-Base interactions energy: -303.674
where: short stacking energy: -127.629
Base-Backbone interact. energy: -1.671
local terms energy: -183.467986
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -365.103440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.103440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.103440 (E_RNA)
where:
Base-Base interactions energy: -195.311
where: short stacking energy: -106.677
Base-Backbone interact. energy: -0.717
local terms energy: -169.075391
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -232.295639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.295639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.295639 (E_RNA)
where:
Base-Base interactions energy: -83.475
where: short stacking energy: -75.608
Base-Backbone interact. energy: -0.009
local terms energy: -148.811654
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -49.311
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -894.438713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.438713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.438713 (E_RNA)
where:
Base-Base interactions energy: -629.133
where: short stacking energy: -260.119
Base-Backbone interact. energy: 2.600
local terms energy: -267.905180
where:
bonds (distance) C4'-P energy: -44.488
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -39.796
tors. eta vs tors. theta energy: -70.302
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -864.884264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.884264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.884264 (E_RNA)
where:
Base-Base interactions energy: -586.840
where: short stacking energy: -264.887
Base-Backbone interact. energy: -0.396
local terms energy: -277.648910
where:
bonds (distance) C4'-P energy: -51.696
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -45.573
tors. eta vs tors. theta energy: -71.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -836.243411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.243411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.243411 (E_RNA)
where:
Base-Base interactions energy: -573.146
where: short stacking energy: -267.838
Base-Backbone interact. energy: -0.709
local terms energy: -262.389125
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -73.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -830.655247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.655247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.655247 (E_RNA)
where:
Base-Base interactions energy: -552.189
where: short stacking energy: -249.966
Base-Backbone interact. energy: 0.231
local terms energy: -278.697180
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -43.477
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -712.071841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.071841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.071841 (E_RNA)
where:
Base-Base interactions energy: -459.487
where: short stacking energy: -205.855
Base-Backbone interact. energy: -2.003
local terms energy: -250.582042
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -54.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -681.240664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.240664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.240664 (E_RNA)
where:
Base-Base interactions energy: -437.543
where: short stacking energy: -198.374
Base-Backbone interact. energy: -0.418
local terms energy: -243.279417
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -53.293
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: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -611.437262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.437262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.437262 (E_RNA)
where:
Base-Base interactions energy: -389.420
where: short stacking energy: -168.528
Base-Backbone interact. energy: 2.504
local terms energy: -224.521548
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -53.698
flat angles C4'-P-C4' energy: -46.593
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -37.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -487.762161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.762161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.762161 (E_RNA)
where:
Base-Base interactions energy: -308.478
where: short stacking energy: -156.742
Base-Backbone interact. energy: 0.239
local terms energy: -179.522864
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -36.736
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -30.264
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -405.040646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.040646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.040646 (E_RNA)
where:
Base-Base interactions energy: -213.166
where: short stacking energy: -119.811
Base-Backbone interact. energy: -0.832
local terms energy: -191.043077
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -53.023
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -13.169
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: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -210.341109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.341109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.341109 (E_RNA)
where:
Base-Base interactions energy: -80.993
where: short stacking energy: -66.493
Base-Backbone interact. energy: 1.821
local terms energy: -131.168640
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: 12.196
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: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -903.736963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.736963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.736963 (E_RNA)
where:
Base-Base interactions energy: -622.223
where: short stacking energy: -253.033
Base-Backbone interact. energy: -2.401
local terms energy: -279.113420
where:
bonds (distance) C4'-P energy: -48.499
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -73.634
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: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -873.084182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.084182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.084182 (E_RNA)
where:
Base-Base interactions energy: -590.434
where: short stacking energy: -275.603
Base-Backbone interact. energy: -1.144
local terms energy: -281.505822
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -64.576
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -74.998
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: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -879.915907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.915907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.915907 (E_RNA)
where:
Base-Base interactions energy: -598.860
where: short stacking energy: -255.585
Base-Backbone interact. energy: -0.212
local terms energy: -280.843768
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -52.217
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -77.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -828.215789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.215789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.215789 (E_RNA)
where:
Base-Base interactions energy: -564.739
where: short stacking energy: -250.065
Base-Backbone interact. energy: -1.362
local terms energy: -262.114315
where:
bonds (distance) C4'-P energy: -50.840
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -55.248
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -72.157
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -744.150578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.150578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.150578 (E_RNA)
where:
Base-Base interactions energy: -495.221
where: short stacking energy: -235.856
Base-Backbone interact. energy: -1.281
local terms energy: -247.648933
where:
bonds (distance) C4'-P energy: -41.363
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -55.973
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -61.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -684.548256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.548256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.548256 (E_RNA)
where:
Base-Base interactions energy: -465.629
where: short stacking energy: -204.679
Base-Backbone interact. energy: 6.355
local terms energy: -225.274436
where:
bonds (distance) C4'-P energy: -44.966
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -49.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -629.647762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.647762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.647762 (E_RNA)
where:
Base-Base interactions energy: -381.986
where: short stacking energy: -190.795
Base-Backbone interact. energy: -0.256
local terms energy: -247.405358
where:
bonds (distance) C4'-P energy: -50.408
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -55.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -480.335009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.335009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.335009 (E_RNA)
where:
Base-Base interactions energy: -289.141
where: short stacking energy: -139.442
Base-Backbone interact. energy: -0.803
local terms energy: -190.390341
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -37.038
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -27.807
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: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -382.451112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.451112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.451112 (E_RNA)
where:
Base-Base interactions energy: -207.498
where: short stacking energy: -112.455
Base-Backbone interact. energy: -0.040
local terms energy: -174.913213
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -223.280462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.280462 (E_RNA)
where:
Base-Base interactions energy: -80.696
where: short stacking energy: -79.237
Base-Backbone interact. energy: -1.635
local terms energy: -140.949863
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -46.534
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: 3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -907.995163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.995163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.995163 (E_RNA)
where:
Base-Base interactions energy: -621.805
where: short stacking energy: -254.947
Base-Backbone interact. energy: -2.620
local terms energy: -283.569547
where:
bonds (distance) C4'-P energy: -52.336
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -77.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -860.830295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.830295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.830295 (E_RNA)
where:
Base-Base interactions energy: -573.199
where: short stacking energy: -271.023
Base-Backbone interact. energy: -2.265
local terms energy: -285.365893
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -52.391
flat angles C4'-P-C4' energy: -60.048
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -78.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -841.485073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.485073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.485073 (E_RNA)
where:
Base-Base interactions energy: -574.540
where: short stacking energy: -244.062
Base-Backbone interact. energy: -0.694
local terms energy: -266.250405
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -63.752
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -64.582
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: 318
Temperature: 1.050000
Total energy: -795.978825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.978825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.978825 (E_RNA)
where:
Base-Base interactions energy: -540.724
where: short stacking energy: -230.218
Base-Backbone interact. energy: -0.609
local terms energy: -254.645875
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -70.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -691.276038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.276038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.276038 (E_RNA)
where:
Base-Base interactions energy: -464.945
where: short stacking energy: -215.089
Base-Backbone interact. energy: 0.306
local terms energy: -226.636271
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -44.930
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -44.384
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -688.306320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.306320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.306320 (E_RNA)
where:
Base-Base interactions energy: -445.066
where: short stacking energy: -197.906
Base-Backbone interact. energy: -1.516
local terms energy: -241.723944
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -47.615
flat angles P-C4'-P energy: -38.030
tors. eta vs tors. theta energy: -58.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -601.204219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.204219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.204219 (E_RNA)
where:
Base-Base interactions energy: -388.859
where: short stacking energy: -168.827
Base-Backbone interact. energy: -1.366
local terms energy: -210.979497
where:
bonds (distance) C4'-P energy: -37.477
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -41.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -484.084771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.084771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.084771 (E_RNA)
where:
Base-Base interactions energy: -314.326
where: short stacking energy: -141.977
Base-Backbone interact. energy: 2.422
local terms energy: -172.181207
where:
bonds (distance) C4'-P energy: -39.211
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -23.280
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: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -393.249058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.249058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.249058 (E_RNA)
where:
Base-Base interactions energy: -237.900
where: short stacking energy: -126.053
Base-Backbone interact. energy: -1.303
local terms energy: -154.045826
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -230.584045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.584045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584045 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -72.176
Base-Backbone interact. energy: 0.696
local terms energy: -135.277088
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: 6.121
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: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -895.303101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.303101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.303101 (E_RNA)
where:
Base-Base interactions energy: -620.672
where: short stacking energy: -241.394
Base-Backbone interact. energy: -1.757
local terms energy: -272.874250
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -65.082
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -879.179916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.179916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.179916 (E_RNA)
where:
Base-Base interactions energy: -602.958
where: short stacking energy: -262.702
Base-Backbone interact. energy: 0.067
local terms energy: -276.288999
where:
bonds (distance) C4'-P energy: -49.193
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -78.451
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: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -858.399666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.399666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.399666 (E_RNA)
where:
Base-Base interactions energy: -582.246
where: short stacking energy: -261.362
Base-Backbone interact. energy: -0.479
local terms energy: -275.674464
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -34.765
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: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -808.607083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.607083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.607083 (E_RNA)
where:
Base-Base interactions energy: -543.922
where: short stacking energy: -236.812
Base-Backbone interact. energy: 0.579
local terms energy: -265.264567
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -52.957
flat angles C4'-P-C4' energy: -51.496
flat angles P-C4'-P energy: -34.435
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: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -678.719482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.719482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.719482 (E_RNA)
where:
Base-Base interactions energy: -448.867
where: short stacking energy: -193.781
Base-Backbone interact. energy: -0.960
local terms energy: -228.892597
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -54.350
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: -41.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -726.957214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.957214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.957214 (E_RNA)
where:
Base-Base interactions energy: -484.493
where: short stacking energy: -224.703
Base-Backbone interact. energy: -0.713
local terms energy: -241.750956
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -50.378
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -60.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -588.659758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.659758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.659758 (E_RNA)
where:
Base-Base interactions energy: -370.521
where: short stacking energy: -156.201
Base-Backbone interact. energy: -2.014
local terms energy: -216.124644
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -40.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -486.595725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.595725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.595725 (E_RNA)
where:
Base-Base interactions energy: -311.824
where: short stacking energy: -124.182
Base-Backbone interact. energy: -0.486
local terms energy: -174.285573
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -50.345
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -382.410957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.410957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.410957 (E_RNA)
where:
Base-Base interactions energy: -198.986
where: short stacking energy: -111.418
Base-Backbone interact. energy: -1.780
local terms energy: -181.644448
where:
bonds (distance) C4'-P energy: -36.212
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -225.723627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.723627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.723627 (E_RNA)
where:
Base-Base interactions energy: -69.088
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.756
local terms energy: -155.879828
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: 5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -894.683889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.683889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.683889 (E_RNA)
where:
Base-Base interactions energy: -601.985
where: short stacking energy: -244.682
Base-Backbone interact. energy: -0.693
local terms energy: -292.005798
where:
bonds (distance) C4'-P energy: -61.166
bonds (distance) P-C4' energy: -59.464
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -67.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -863.497420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.497420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.497420 (E_RNA)
where:
Base-Base interactions energy: -581.329
where: short stacking energy: -273.337
Base-Backbone interact. energy: -0.770
local terms energy: -281.398307
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -45.438
flat angles C4'-P-C4' energy: -60.348
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: -83.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -875.965971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.965971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.965971 (E_RNA)
where:
Base-Base interactions energy: -610.876
where: short stacking energy: -270.053
Base-Backbone interact. energy: -0.385
local terms energy: -264.704912
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -53.640
flat angles P-C4'-P energy: -46.509
tors. eta vs tors. theta energy: -74.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -803.200643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.200643 (E_RNA)
where:
Base-Base interactions energy: -557.918
where: short stacking energy: -255.145
Base-Backbone interact. energy: -1.200
local terms energy: -244.082719
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -46.119
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -70.239
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: 320
Temperature: 1.100000
Total energy: -742.570058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.570058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.570058 (E_RNA)
where:
Base-Base interactions energy: -497.632
where: short stacking energy: -215.499
Base-Backbone interact. energy: -0.469
local terms energy: -244.469285
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -56.815
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -658.463251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.463251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.463251 (E_RNA)
where:
Base-Base interactions energy: -455.171
where: short stacking energy: -206.611
Base-Backbone interact. energy: 1.314
local terms energy: -204.605641
where:
bonds (distance) C4'-P energy: -52.471
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -617.556240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.556240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.556240 (E_RNA)
where:
Base-Base interactions energy: -400.118
where: short stacking energy: -181.875
Base-Backbone interact. energy: 2.264
local terms energy: -219.703166
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -44.712
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: -48.768
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: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -459.587283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.587283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.587283 (E_RNA)
where:
Base-Base interactions energy: -287.089
where: short stacking energy: -140.441
Base-Backbone interact. energy: 3.154
local terms energy: -175.651960
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -410.059754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.059754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.059754 (E_RNA)
where:
Base-Base interactions energy: -226.893
where: short stacking energy: -128.262
Base-Backbone interact. energy: 0.575
local terms energy: -183.741816
where:
bonds (distance) C4'-P energy: -48.608
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -216.696676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696676 (E_RNA)
where:
Base-Base interactions energy: -63.280
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.699
local terms energy: -152.717891
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -38.593
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: 11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -888.400854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.400854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.400854 (E_RNA)
where:
Base-Base interactions energy: -612.260
where: short stacking energy: -249.088
Base-Backbone interact. energy: -0.520
local terms energy: -275.620798
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: -67.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -873.108213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.108213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.108213 (E_RNA)
where:
Base-Base interactions energy: -603.687
where: short stacking energy: -274.225
Base-Backbone interact. energy: -1.294
local terms energy: -268.126998
where:
bonds (distance) C4'-P energy: -45.100
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -58.478
flat angles P-C4'-P energy: -36.020
tors. eta vs tors. theta energy: -75.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -824.972507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.972507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.972507 (E_RNA)
where:
Base-Base interactions energy: -575.978
where: short stacking energy: -236.919
Base-Backbone interact. energy: -0.617
local terms energy: -248.377948
where:
bonds (distance) C4'-P energy: -48.530
bonds (distance) P-C4' energy: -57.772
flat angles C4'-P-C4' energy: -48.413
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -62.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -773.515773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.515773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.515773 (E_RNA)
where:
Base-Base interactions energy: -517.577
where: short stacking energy: -238.477
Base-Backbone interact. energy: 0.112
local terms energy: -256.050275
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -49.888
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -775.889571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.889571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.889571 (E_RNA)
where:
Base-Base interactions energy: -523.744
where: short stacking energy: -245.050
Base-Backbone interact. energy: 0.802
local terms energy: -252.946802
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -61.911
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -61.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -677.125666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.125666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.125666 (E_RNA)
where:
Base-Base interactions energy: -449.138
where: short stacking energy: -209.999
Base-Backbone interact. energy: -0.430
local terms energy: -227.557663
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -43.531
flat angles C4'-P-C4' energy: -52.484
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -53.804
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: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -610.271565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.271565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.271565 (E_RNA)
where:
Base-Base interactions energy: -387.952
where: short stacking energy: -158.305
Base-Backbone interact. energy: -0.204
local terms energy: -222.115803
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -46.229
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -50.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -523.063945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.063945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.063945 (E_RNA)
where:
Base-Base interactions energy: -321.413
where: short stacking energy: -146.979
Base-Backbone interact. energy: 0.995
local terms energy: -202.645213
where:
bonds (distance) C4'-P energy: -46.386
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -34.027
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: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -365.535660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.535660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.535660 (E_RNA)
where:
Base-Base interactions energy: -198.242
where: short stacking energy: -104.801
Base-Backbone interact. energy: -1.666
local terms energy: -165.627062
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -226.652320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.652320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.652320 (E_RNA)
where:
Base-Base interactions energy: -82.873
where: short stacking energy: -68.960
Base-Backbone interact. energy: -2.149
local terms energy: -141.630532
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: 3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -896.965848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.965848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.965848 (E_RNA)
where:
Base-Base interactions energy: -613.925
where: short stacking energy: -264.210
Base-Backbone interact. energy: -0.082
local terms energy: -282.958677
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -61.787
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -73.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -880.868812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.868812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.868812 (E_RNA)
where:
Base-Base interactions energy: -609.222
where: short stacking energy: -240.209
Base-Backbone interact. energy: 0.312
local terms energy: -271.958740
where:
bonds (distance) C4'-P energy: -51.739
bonds (distance) P-C4' energy: -49.859
flat angles C4'-P-C4' energy: -61.943
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -73.200
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: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -806.083447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.083447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.083447 (E_RNA)
where:
Base-Base interactions energy: -541.900
where: short stacking energy: -234.728
Base-Backbone interact. energy: 0.002
local terms energy: -264.186389
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: -73.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -793.510680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.510680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.510680 (E_RNA)
where:
Base-Base interactions energy: -531.163
where: short stacking energy: -245.487
Base-Backbone interact. energy: -0.308
local terms energy: -262.040326
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -50.809
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -73.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -771.325781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.325781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.325781 (E_RNA)
where:
Base-Base interactions energy: -528.390
where: short stacking energy: -230.454
Base-Backbone interact. energy: 0.963
local terms energy: -243.898709
where:
bonds (distance) C4'-P energy: -40.263
bonds (distance) P-C4' energy: -47.779
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -63.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -668.668187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.668187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.668187 (E_RNA)
where:
Base-Base interactions energy: -447.577
where: short stacking energy: -197.785
Base-Backbone interact. energy: -1.043
local terms energy: -220.047781
where:
bonds (distance) C4'-P energy: -39.847
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -54.846
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -47.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -631.349845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.349845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.349845 (E_RNA)
where:
Base-Base interactions energy: -399.698
where: short stacking energy: -195.953
Base-Backbone interact. energy: -1.724
local terms energy: -229.928403
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -52.904
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -45.340
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: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -494.849058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.849058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.849058 (E_RNA)
where:
Base-Base interactions energy: -304.469
where: short stacking energy: -139.193
Base-Backbone interact. energy: -1.076
local terms energy: -189.303877
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -26.338
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: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -393.023800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.023800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.023800 (E_RNA)
where:
Base-Base interactions energy: -219.136
where: short stacking energy: -108.903
Base-Backbone interact. energy: -0.199
local terms energy: -173.689644
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -50.488
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -220.274860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.274860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.274860 (E_RNA)
where:
Base-Base interactions energy: -70.188
where: short stacking energy: -51.836
Base-Backbone interact. energy: -1.667
local terms energy: -148.419644
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -900.623892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.623892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.623892 (E_RNA)
where:
Base-Base interactions energy: -615.091
where: short stacking energy: -263.982
Base-Backbone interact. energy: -1.062
local terms energy: -284.471256
where:
bonds (distance) C4'-P energy: -56.488
bonds (distance) P-C4' energy: -57.830
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -71.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -875.406602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.406602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.406602 (E_RNA)
where:
Base-Base interactions energy: -614.066
where: short stacking energy: -248.347
Base-Backbone interact. energy: -1.427
local terms energy: -259.912951
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -50.601
flat angles C4'-P-C4' energy: -57.046
flat angles P-C4'-P energy: -38.681
tors. eta vs tors. theta energy: -69.554
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: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -808.490853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.490853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.490853 (E_RNA)
where:
Base-Base interactions energy: -538.938
where: short stacking energy: -250.256
Base-Backbone interact. energy: -2.233
local terms energy: -267.320070
where:
bonds (distance) C4'-P energy: -47.982
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -36.325
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: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -818.720076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.720076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.720076 (E_RNA)
where:
Base-Base interactions energy: -546.877
where: short stacking energy: -248.915
Base-Backbone interact. energy: -0.096
local terms energy: -271.746853
where:
bonds (distance) C4'-P energy: -45.259
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -50.863
tors. eta vs tors. theta energy: -74.221
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -802.051911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.051911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.051911 (E_RNA)
where:
Base-Base interactions energy: -562.871
where: short stacking energy: -246.281
Base-Backbone interact. energy: 0.897
local terms energy: -240.077589
where:
bonds (distance) C4'-P energy: -46.270
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -57.724
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -66.815
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: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -693.390121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.390121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.390121 (E_RNA)
where:
Base-Base interactions energy: -458.607
where: short stacking energy: -198.603
Base-Backbone interact. energy: -1.255
local terms energy: -233.527791
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -42.008
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -58.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -667.215177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.215177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.215177 (E_RNA)
where:
Base-Base interactions energy: -445.241
where: short stacking energy: -193.993
Base-Backbone interact. energy: -0.739
local terms energy: -221.235739
where:
bonds (distance) C4'-P energy: -46.694
bonds (distance) P-C4' energy: -48.607
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -47.923
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: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -556.093229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.093229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.093229 (E_RNA)
where:
Base-Base interactions energy: -346.571
where: short stacking energy: -159.907
Base-Backbone interact. energy: -0.737
local terms energy: -208.785428
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -57.782
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -30.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -391.640834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.640834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.640834 (E_RNA)
where:
Base-Base interactions energy: -212.556
where: short stacking energy: -119.308
Base-Backbone interact. energy: -0.862
local terms energy: -178.222498
where:
bonds (distance) C4'-P energy: -48.898
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -250.387827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.387827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.387827 (E_RNA)
where:
Base-Base interactions energy: -94.427
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.628
local terms energy: -155.332613
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -41.127
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -917.815801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.815801 (E_RNA)
where:
Base-Base interactions energy: -620.313
where: short stacking energy: -277.470
Base-Backbone interact. energy: -0.843
local terms energy: -296.660080
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -79.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -885.624876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.624876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.624876 (E_RNA)
where:
Base-Base interactions energy: -602.882
where: short stacking energy: -252.486
Base-Backbone interact. energy: -0.272
local terms energy: -282.471085
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -74.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -832.797179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.797179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.797179 (E_RNA)
where:
Base-Base interactions energy: -548.494
where: short stacking energy: -251.171
Base-Backbone interact. energy: 0.199
local terms energy: -284.502475
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -61.540
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -70.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -816.006657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.006657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.006657 (E_RNA)
where:
Base-Base interactions energy: -546.394
where: short stacking energy: -247.759
Base-Backbone interact. energy: -1.550
local terms energy: -268.062640
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -773.029930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.029930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.029930 (E_RNA)
where:
Base-Base interactions energy: -531.877
where: short stacking energy: -229.454
Base-Backbone interact. energy: 0.160
local terms energy: -241.312991
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -51.170
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -65.682
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: 324
Temperature: 1.150000
Total energy: -691.262556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.262556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.262556 (E_RNA)
where:
Base-Base interactions energy: -469.187
where: short stacking energy: -199.680
Base-Backbone interact. energy: -1.130
local terms energy: -220.945328
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -48.599
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -671.203468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.203468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.203468 (E_RNA)
where:
Base-Base interactions energy: -457.369
where: short stacking energy: -183.898
Base-Backbone interact. energy: 0.654
local terms energy: -214.488655
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -47.018
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: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -510.488627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.488627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.488627 (E_RNA)
where:
Base-Base interactions energy: -322.434
where: short stacking energy: -137.192
Base-Backbone interact. energy: -0.706
local terms energy: -187.348648
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -33.368
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -387.689388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.689388 (E_RNA)
where:
Base-Base interactions energy: -216.411
where: short stacking energy: -119.382
Base-Backbone interact. energy: 0.541
local terms energy: -171.819215
where:
bonds (distance) C4'-P energy: -39.117
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -15.668
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: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -233.930943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.930943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.930943 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -59.409
Base-Backbone interact. energy: 0.422
local terms energy: -163.609357
where:
bonds (distance) C4'-P energy: -41.587
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -880.873243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.873243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.873243 (E_RNA)
where:
Base-Base interactions energy: -594.364
where: short stacking energy: -249.465
Base-Backbone interact. energy: -3.212
local terms energy: -283.296913
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -58.592
flat angles P-C4'-P energy: -41.677
tors. eta vs tors. theta energy: -74.088
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: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -888.697504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.697504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.697504 (E_RNA)
where:
Base-Base interactions energy: -632.155
where: short stacking energy: -253.000
Base-Backbone interact. energy: -1.047
local terms energy: -255.494907
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -44.989
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -69.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -831.291195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.291195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.291195 (E_RNA)
where:
Base-Base interactions energy: -549.804
where: short stacking energy: -257.531
Base-Backbone interact. energy: -1.061
local terms energy: -280.426597
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -60.520
flat angles P-C4'-P energy: -42.476
tors. eta vs tors. theta energy: -75.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -833.168682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.168682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.168682 (E_RNA)
where:
Base-Base interactions energy: -561.211
where: short stacking energy: -259.724
Base-Backbone interact. energy: 1.785
local terms energy: -273.742832
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -59.665
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -74.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -773.822947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.822947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.822947 (E_RNA)
where:
Base-Base interactions energy: -538.894
where: short stacking energy: -236.085
Base-Backbone interact. energy: -0.862
local terms energy: -234.067486
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -54.324
flat angles P-C4'-P energy: -32.290
tors. eta vs tors. theta energy: -61.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -673.411363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.411363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.411363 (E_RNA)
where:
Base-Base interactions energy: -463.260
where: short stacking energy: -204.194
Base-Backbone interact. energy: -0.146
local terms energy: -210.006168
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -50.951
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -44.379
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: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -643.559101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.559101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.559101 (E_RNA)
where:
Base-Base interactions energy: -417.218
where: short stacking energy: -182.868
Base-Backbone interact. energy: -0.858
local terms energy: -225.483201
where:
bonds (distance) C4'-P energy: -52.450
bonds (distance) P-C4' energy: -42.215
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -31.679
tors. eta vs tors. theta energy: -43.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -529.720684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.720684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.720684 (E_RNA)
where:
Base-Base interactions energy: -351.199
where: short stacking energy: -155.846
Base-Backbone interact. energy: -0.007
local terms energy: -178.515005
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: -31.537
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -368.974843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.974843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.974843 (E_RNA)
where:
Base-Base interactions energy: -218.815
where: short stacking energy: -99.908
Base-Backbone interact. energy: -0.549
local terms energy: -149.610581
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -225.586864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.586864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.586864 (E_RNA)
where:
Base-Base interactions energy: -99.191
where: short stacking energy: -76.398
Base-Backbone interact. energy: -1.878
local terms energy: -124.517680
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -39.236
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -907.261808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.261808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.261808 (E_RNA)
where:
Base-Base interactions energy: -608.987
where: short stacking energy: -270.321
Base-Backbone interact. energy: -0.960
local terms energy: -297.314885
where:
bonds (distance) C4'-P energy: -58.941
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -58.316
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -76.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -890.111987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.111987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.111987 (E_RNA)
where:
Base-Base interactions energy: -616.009
where: short stacking energy: -259.896
Base-Backbone interact. energy: 0.906
local terms energy: -275.008859
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -67.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -836.824172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.824172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.824172 (E_RNA)
where:
Base-Base interactions energy: -583.360
where: short stacking energy: -262.916
Base-Backbone interact. energy: 0.280
local terms energy: -253.744307
where:
bonds (distance) C4'-P energy: -45.246
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -51.082
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -76.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -787.986490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.986490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.986490 (E_RNA)
where:
Base-Base interactions energy: -518.017
where: short stacking energy: -231.912
Base-Backbone interact. energy: -0.587
local terms energy: -269.382866
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -69.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -726.597416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.597416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.597416 (E_RNA)
where:
Base-Base interactions energy: -492.725
where: short stacking energy: -229.166
Base-Backbone interact. energy: 1.924
local terms energy: -235.796595
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -29.436
tors. eta vs tors. theta energy: -53.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -729.921374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.921374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.921374 (E_RNA)
where:
Base-Base interactions energy: -488.881
where: short stacking energy: -229.479
Base-Backbone interact. energy: -1.258
local terms energy: -239.783256
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -66.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -615.296810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.296810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.296810 (E_RNA)
where:
Base-Base interactions energy: -404.503
where: short stacking energy: -174.017
Base-Backbone interact. energy: -1.283
local terms energy: -209.511506
where:
bonds (distance) C4'-P energy: -47.276
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -523.309146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.309146 (E_RNA)
where:
Base-Base interactions energy: -343.654
where: short stacking energy: -165.176
Base-Backbone interact. energy: 1.079
local terms energy: -180.734042
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -34.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -411.637785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.637785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.637785 (E_RNA)
where:
Base-Base interactions energy: -244.170
where: short stacking energy: -124.646
Base-Backbone interact. energy: -0.799
local terms energy: -166.668114
where:
bonds (distance) C4'-P energy: -37.600
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -48.592
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -216.339676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.339676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.339676 (E_RNA)
where:
Base-Base interactions energy: -70.247
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.784
local terms energy: -145.308507
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: 3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -909.494726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.494726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.494726 (E_RNA)
where:
Base-Base interactions energy: -625.809
where: short stacking energy: -265.237
Base-Backbone interact. energy: -2.140
local terms energy: -281.546026
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -70.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -892.622568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.622568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.622568 (E_RNA)
where:
Base-Base interactions energy: -629.345
where: short stacking energy: -261.605
Base-Backbone interact. energy: -0.442
local terms energy: -262.835758
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -72.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -867.729009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.729009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.729009 (E_RNA)
where:
Base-Base interactions energy: -608.772
where: short stacking energy: -260.828
Base-Backbone interact. energy: -0.660
local terms energy: -258.296990
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -49.322
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -73.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -714.757192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.757192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.757192 (E_RNA)
where:
Base-Base interactions energy: -472.230
where: short stacking energy: -228.115
Base-Backbone interact. energy: 3.060
local terms energy: -245.587170
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -59.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -805.590240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.590240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.590240 (E_RNA)
where:
Base-Base interactions energy: -540.707
where: short stacking energy: -234.567
Base-Backbone interact. energy: -0.861
local terms energy: -264.021999
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -54.823
flat angles P-C4'-P energy: -37.373
tors. eta vs tors. theta energy: -72.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -749.090510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.090510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.090510 (E_RNA)
where:
Base-Base interactions energy: -512.729
where: short stacking energy: -216.282
Base-Backbone interact. energy: -0.279
local terms energy: -236.082670
where:
bonds (distance) C4'-P energy: -45.085
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -56.434
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: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -551.925042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.925042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.925042 (E_RNA)
where:
Base-Base interactions energy: -348.541
where: short stacking energy: -148.984
Base-Backbone interact. energy: 2.262
local terms energy: -205.645778
where:
bonds (distance) C4'-P energy: -47.061
bonds (distance) P-C4' energy: -55.027
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -483.054776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.054776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.054776 (E_RNA)
where:
Base-Base interactions energy: -294.685
where: short stacking energy: -135.834
Base-Backbone interact. energy: -0.415
local terms energy: -187.955136
where:
bonds (distance) C4'-P energy: -50.762
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -393.160572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.160572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.160572 (E_RNA)
where:
Base-Base interactions energy: -213.301
where: short stacking energy: -114.840
Base-Backbone interact. energy: 2.002
local terms energy: -181.861700
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -49.901
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -241.463928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.463928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.463928 (E_RNA)
where:
Base-Base interactions energy: -82.536
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.872
local terms energy: -158.055783
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -45.137
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -30.683
tors. eta vs tors. theta energy: 9.435
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: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -907.943907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.943907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.943907 (E_RNA)
where:
Base-Base interactions energy: -630.898
where: short stacking energy: -259.581
Base-Backbone interact. energy: -0.538
local terms energy: -276.508478
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -62.143
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -71.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -890.361770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.361770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.361770 (E_RNA)
where:
Base-Base interactions energy: -610.225
where: short stacking energy: -264.516
Base-Backbone interact. energy: -1.022
local terms energy: -279.114363
where:
bonds (distance) C4'-P energy: -56.078
bonds (distance) P-C4' energy: -48.537
flat angles C4'-P-C4' energy: -58.415
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -73.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -855.277380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.277380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.277380 (E_RNA)
where:
Base-Base interactions energy: -587.725
where: short stacking energy: -261.851
Base-Backbone interact. energy: -0.545
local terms energy: -267.007773
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -47.921
flat angles C4'-P-C4' energy: -61.038
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -69.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -757.108994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.108994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.108994 (E_RNA)
where:
Base-Base interactions energy: -509.938
where: short stacking energy: -229.980
Base-Backbone interact. energy: -1.153
local terms energy: -246.018583
where:
bonds (distance) C4'-P energy: -43.691
bonds (distance) P-C4' energy: -53.611
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -63.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -770.045833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.045833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.045833 (E_RNA)
where:
Base-Base interactions energy: -516.580
where: short stacking energy: -230.349
Base-Backbone interact. energy: 0.469
local terms energy: -253.934143
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -59.122
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -67.858
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: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -688.980216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.980216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.980216 (E_RNA)
where:
Base-Base interactions energy: -456.933
where: short stacking energy: -206.881
Base-Backbone interact. energy: -0.112
local terms energy: -231.935926
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -47.394
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: -56.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -600.542392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.542392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.542392 (E_RNA)
where:
Base-Base interactions energy: -377.824
where: short stacking energy: -160.777
Base-Backbone interact. energy: -0.679
local terms energy: -222.039622
where:
bonds (distance) C4'-P energy: -48.148
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -54.536
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -34.042
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: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -473.682738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.682738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.682738 (E_RNA)
where:
Base-Base interactions energy: -277.521
where: short stacking energy: -135.176
Base-Backbone interact. energy: 0.422
local terms energy: -196.583840
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -44.265
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -28.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -367.712834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.712834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.712834 (E_RNA)
where:
Base-Base interactions energy: -212.085
where: short stacking energy: -103.132
Base-Backbone interact. energy: -0.446
local terms energy: -155.182014
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -38.518
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -224.836146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.836146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836146 (E_RNA)
where:
Base-Base interactions energy: -98.767
where: short stacking energy: -67.804
Base-Backbone interact. energy: 0.299
local terms energy: -126.367985
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: 6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -906.345796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.345796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.345796 (E_RNA)
where:
Base-Base interactions energy: -631.353
where: short stacking energy: -265.413
Base-Backbone interact. energy: -1.226
local terms energy: -273.767115
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: -77.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -868.256868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.256868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.256868 (E_RNA)
where:
Base-Base interactions energy: -592.482
where: short stacking energy: -264.748
Base-Backbone interact. energy: -1.674
local terms energy: -274.101673
where:
bonds (distance) C4'-P energy: -50.946
bonds (distance) P-C4' energy: -44.673
flat angles C4'-P-C4' energy: -59.872
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -76.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -855.275210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.275210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.275210 (E_RNA)
where:
Base-Base interactions energy: -583.190
where: short stacking energy: -251.818
Base-Backbone interact. energy: -2.170
local terms energy: -269.914907
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -67.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -744.062438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.062438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.062438 (E_RNA)
where:
Base-Base interactions energy: -489.776
where: short stacking energy: -222.027
Base-Backbone interact. energy: -0.794
local terms energy: -253.492819
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -56.817
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -58.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -721.050798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.050798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.050798 (E_RNA)
where:
Base-Base interactions energy: -471.038
where: short stacking energy: -213.389
Base-Backbone interact. energy: 0.152
local terms energy: -250.164743
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -50.545
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -57.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -707.256966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.256966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.256966 (E_RNA)
where:
Base-Base interactions energy: -469.168
where: short stacking energy: -216.240
Base-Backbone interact. energy: -0.713
local terms energy: -237.376047
where:
bonds (distance) C4'-P energy: -39.600
bonds (distance) P-C4' energy: -47.051
flat angles C4'-P-C4' energy: -63.751
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -57.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -600.731090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.731090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.731090 (E_RNA)
where:
Base-Base interactions energy: -366.448
where: short stacking energy: -178.080
Base-Backbone interact. energy: -0.481
local terms energy: -233.801873
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -47.812
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -487.696467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.696467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.696467 (E_RNA)
where:
Base-Base interactions energy: -303.338
where: short stacking energy: -134.201
Base-Backbone interact. energy: -0.826
local terms energy: -183.532288
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -43.625
flat angles C4'-P-C4' energy: -41.660
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -368.994389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.994389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.994389 (E_RNA)
where:
Base-Base interactions energy: -217.067
where: short stacking energy: -113.228
Base-Backbone interact. energy: -0.216
local terms energy: -151.710520
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -235.688939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.688939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.688939 (E_RNA)
where:
Base-Base interactions energy: -93.498
where: short stacking energy: -74.633
Base-Backbone interact. energy: -1.285
local terms energy: -140.906265
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -45.262
flat angles C4'-P-C4' energy: -42.066
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: 4.674
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: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -913.269300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.269300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.269300 (E_RNA)
where:
Base-Base interactions energy: -632.603
where: short stacking energy: -259.003
Base-Backbone interact. energy: -0.770
local terms energy: -279.896488
where:
bonds (distance) C4'-P energy: -50.323
bonds (distance) P-C4' energy: -56.256
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -43.562
tors. eta vs tors. theta energy: -74.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -874.526806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.526806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.526806 (E_RNA)
where:
Base-Base interactions energy: -597.658
where: short stacking energy: -262.371
Base-Backbone interact. energy: -0.267
local terms energy: -276.601463
where:
bonds (distance) C4'-P energy: -54.978
bonds (distance) P-C4' energy: -50.342
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -38.085
tors. eta vs tors. theta energy: -74.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -838.168261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.168261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.168261 (E_RNA)
where:
Base-Base interactions energy: -570.795
where: short stacking energy: -250.237
Base-Backbone interact. energy: -1.496
local terms energy: -265.877001
where:
bonds (distance) C4'-P energy: -53.977
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -65.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -748.372645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.372645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.372645 (E_RNA)
where:
Base-Base interactions energy: -504.048
where: short stacking energy: -208.465
Base-Backbone interact. energy: -0.840
local terms energy: -243.484608
where:
bonds (distance) C4'-P energy: -54.362
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -55.365
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: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -728.034197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.034197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.034197 (E_RNA)
where:
Base-Base interactions energy: -486.026
where: short stacking energy: -216.981
Base-Backbone interact. energy: -0.890
local terms energy: -241.118400
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -47.702
flat angles P-C4'-P energy: -37.860
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: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -678.681525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.681525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.681525 (E_RNA)
where:
Base-Base interactions energy: -450.550
where: short stacking energy: -201.158
Base-Backbone interact. energy: -0.679
local terms energy: -227.452362
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -553.778113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.778113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.778113 (E_RNA)
where:
Base-Base interactions energy: -349.112
where: short stacking energy: -158.920
Base-Backbone interact. energy: -1.849
local terms energy: -202.817821
where:
bonds (distance) C4'-P energy: -42.217
bonds (distance) P-C4' energy: -48.994
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -29.900
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -556.848416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.848416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.848416 (E_RNA)
where:
Base-Base interactions energy: -353.622
where: short stacking energy: -154.245
Base-Backbone interact. energy: 0.856
local terms energy: -204.081764
where:
bonds (distance) C4'-P energy: -45.680
bonds (distance) P-C4' energy: -55.416
flat angles C4'-P-C4' energy: -41.225
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: -31.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -386.201096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.201096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.201096 (E_RNA)
where:
Base-Base interactions energy: -209.002
where: short stacking energy: -125.992
Base-Backbone interact. energy: -1.002
local terms energy: -176.197457
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -225.278614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.278614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.278614 (E_RNA)
where:
Base-Base interactions energy: -79.464
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.199
local terms energy: -145.615826
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -39.096
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: 3.308
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: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -932.404398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.404398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.404398 (E_RNA)
where:
Base-Base interactions energy: -643.763
where: short stacking energy: -266.914
Base-Backbone interact. energy: -2.559
local terms energy: -286.083241
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -60.803
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -76.524
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -870.215997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.215997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.215997 (E_RNA)
where:
Base-Base interactions energy: -580.808
where: short stacking energy: -259.303
Base-Backbone interact. energy: -0.705
local terms energy: -288.703736
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -60.237
flat angles P-C4'-P energy: -43.404
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -848.015366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.015366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.015366 (E_RNA)
where:
Base-Base interactions energy: -577.866
where: short stacking energy: -252.435
Base-Backbone interact. energy: -0.764
local terms energy: -269.385297
where:
bonds (distance) C4'-P energy: -54.445
bonds (distance) P-C4' energy: -40.299
flat angles C4'-P-C4' energy: -64.247
flat angles P-C4'-P energy: -41.126
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -751.311694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.311694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.311694 (E_RNA)
where:
Base-Base interactions energy: -489.179
where: short stacking energy: -222.583
Base-Backbone interact. energy: -0.138
local terms energy: -261.994278
where:
bonds (distance) C4'-P energy: -48.906
bonds (distance) P-C4' energy: -57.908
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -29.748
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: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -730.372671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.372671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.372671 (E_RNA)
where:
Base-Base interactions energy: -491.743
where: short stacking energy: -221.303
Base-Backbone interact. energy: -0.904
local terms energy: -237.726168
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -50.954
flat angles C4'-P-C4' energy: -48.628
flat angles P-C4'-P energy: -41.182
tors. eta vs tors. theta energy: -57.831
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -690.107564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.107564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.107564 (E_RNA)
where:
Base-Base interactions energy: -459.382
where: short stacking energy: -202.801
Base-Backbone interact. energy: -0.741
local terms energy: -229.984076
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -575.174755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.174755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.174755 (E_RNA)
where:
Base-Base interactions energy: -349.426
where: short stacking energy: -168.496
Base-Backbone interact. energy: -1.333
local terms energy: -224.415349
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -39.114
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: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -600.645048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.645048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.645048 (E_RNA)
where:
Base-Base interactions energy: -376.641
where: short stacking energy: -166.091
Base-Backbone interact. energy: -0.033
local terms energy: -223.971534
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -53.691
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -368.650436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.650436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.650436 (E_RNA)
where:
Base-Base interactions energy: -207.175
where: short stacking energy: -113.147
Base-Backbone interact. energy: -1.068
local terms energy: -160.407026
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -242.871479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.871479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.871479 (E_RNA)
where:
Base-Base interactions energy: -96.447
where: short stacking energy: -82.576
Base-Backbone interact. energy: 1.459
local terms energy: -147.884111
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -920.728778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.728778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.728778 (E_RNA)
where:
Base-Base interactions energy: -640.245
where: short stacking energy: -262.840
Base-Backbone interact. energy: -1.247
local terms energy: -279.236774
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -56.232
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -71.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -863.829005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.829005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.829005 (E_RNA)
where:
Base-Base interactions energy: -586.416
where: short stacking energy: -263.553
Base-Backbone interact. energy: -0.280
local terms energy: -277.132782
where:
bonds (distance) C4'-P energy: -52.325
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: -76.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -848.557083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.557083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.557083 (E_RNA)
where:
Base-Base interactions energy: -593.172
where: short stacking energy: -258.869
Base-Backbone interact. energy: -1.955
local terms energy: -253.430720
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -59.992
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -66.490
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: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -774.635268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.635268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.635268 (E_RNA)
where:
Base-Base interactions energy: -525.885
where: short stacking energy: -246.770
Base-Backbone interact. energy: -0.975
local terms energy: -247.775745
where:
bonds (distance) C4'-P energy: -43.789
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -36.659
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: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -709.201440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.201440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.201440 (E_RNA)
where:
Base-Base interactions energy: -470.708
where: short stacking energy: -194.959
Base-Backbone interact. energy: -0.968
local terms energy: -237.525789
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -51.563
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: -54.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -683.779679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.779679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.779679 (E_RNA)
where:
Base-Base interactions energy: -450.350
where: short stacking energy: -205.639
Base-Backbone interact. energy: -0.845
local terms energy: -232.584512
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -50.077
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: -48.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -623.868211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.868211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.868211 (E_RNA)
where:
Base-Base interactions energy: -412.272
where: short stacking energy: -193.124
Base-Backbone interact. energy: -1.782
local terms energy: -209.814218
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -42.599
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: -44.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -549.180249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.180249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.180249 (E_RNA)
where:
Base-Base interactions energy: -345.337
where: short stacking energy: -140.948
Base-Backbone interact. energy: -1.778
local terms energy: -202.065572
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -47.726
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -35.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -393.345683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.345683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.345683 (E_RNA)
where:
Base-Base interactions energy: -222.077
where: short stacking energy: -98.257
Base-Backbone interact. energy: -0.385
local terms energy: -170.884327
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -19.529
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -215.496994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.496994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.496994 (E_RNA)
where:
Base-Base interactions energy: -70.375
where: short stacking energy: -51.555
Base-Backbone interact. energy: 0.834
local terms energy: -145.956588
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -48.575
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: 11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -918.121387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.121387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.121387 (E_RNA)
where:
Base-Base interactions energy: -634.118
where: short stacking energy: -263.125
Base-Backbone interact. energy: -3.166
local terms energy: -280.837234
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -61.105
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -73.483
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: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -881.438764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.438764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.438764 (E_RNA)
where:
Base-Base interactions energy: -600.184
where: short stacking energy: -257.850
Base-Backbone interact. energy: 1.072
local terms energy: -282.327118
where:
bonds (distance) C4'-P energy: -53.440
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -66.430
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -837.680126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.680126 (E_RNA)
where:
Base-Base interactions energy: -577.716
where: short stacking energy: -259.265
Base-Backbone interact. energy: -0.487
local terms energy: -259.477143
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -76.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -780.953891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.953891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.953891 (E_RNA)
where:
Base-Base interactions energy: -501.152
where: short stacking energy: -227.522
Base-Backbone interact. energy: -1.857
local terms energy: -277.944428
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -57.209
flat angles C4'-P-C4' energy: -60.895
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -67.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -717.892318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.892318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.892318 (E_RNA)
where:
Base-Base interactions energy: -478.182
where: short stacking energy: -212.401
Base-Backbone interact. energy: -1.850
local terms energy: -237.860047
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -51.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -626.402937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.402937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.402937 (E_RNA)
where:
Base-Base interactions energy: -392.689
where: short stacking energy: -194.857
Base-Backbone interact. energy: -1.076
local terms energy: -232.637624
where:
bonds (distance) C4'-P energy: -46.399
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -58.215
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -44.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -671.959150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.959150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.959150 (E_RNA)
where:
Base-Base interactions energy: -453.378
where: short stacking energy: -197.667
Base-Backbone interact. energy: -1.345
local terms energy: -217.236404
where:
bonds (distance) C4'-P energy: -35.527
bonds (distance) P-C4' energy: -47.246
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -49.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -563.819629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.819629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.819629 (E_RNA)
where:
Base-Base interactions energy: -347.774
where: short stacking energy: -141.910
Base-Backbone interact. energy: -0.404
local terms energy: -215.641855
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -39.949
tors. eta vs tors. theta energy: -39.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -405.914227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.914227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.914227 (E_RNA)
where:
Base-Base interactions energy: -219.133
where: short stacking energy: -112.754
Base-Backbone interact. energy: -0.843
local terms energy: -185.937837
where:
bonds (distance) C4'-P energy: -54.381
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -17.842
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -228.706475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.706475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.706475 (E_RNA)
where:
Base-Base interactions energy: -88.490
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.721
local terms energy: -139.494836
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -909.254750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.254750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.254750 (E_RNA)
where:
Base-Base interactions energy: -634.186
where: short stacking energy: -258.693
Base-Backbone interact. energy: -0.833
local terms energy: -274.235698
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -69.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -865.352861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.352861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.352861 (E_RNA)
where:
Base-Base interactions energy: -603.262
where: short stacking energy: -264.909
Base-Backbone interact. energy: -3.419
local terms energy: -258.671871
where:
bonds (distance) C4'-P energy: -41.275
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -58.197
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -853.562102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.562102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.562102 (E_RNA)
where:
Base-Base interactions energy: -582.487
where: short stacking energy: -257.171
Base-Backbone interact. energy: -1.457
local terms energy: -269.617416
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -58.390
flat angles C4'-P-C4' energy: -56.226
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -70.565
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -794.446684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.446684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.446684 (E_RNA)
where:
Base-Base interactions energy: -521.407
where: short stacking energy: -252.169
Base-Backbone interact. energy: -1.576
local terms energy: -271.464013
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -56.504
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -83.157
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: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -733.740644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.740644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.740644 (E_RNA)
where:
Base-Base interactions energy: -482.351
where: short stacking energy: -211.195
Base-Backbone interact. energy: -1.385
local terms energy: -250.004502
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -53.187
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -35.879
tors. eta vs tors. theta energy: -54.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -635.633742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.633742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.633742 (E_RNA)
where:
Base-Base interactions energy: -403.473
where: short stacking energy: -177.208
Base-Backbone interact. energy: -0.863
local terms energy: -231.297766
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -54.714
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -38.072
tors. eta vs tors. theta energy: -47.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -653.083066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.083066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.083066 (E_RNA)
where:
Base-Base interactions energy: -432.006
where: short stacking energy: -190.664
Base-Backbone interact. energy: -0.684
local terms energy: -220.392926
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -49.250
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -41.896
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -544.563023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.563023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.563023 (E_RNA)
where:
Base-Base interactions energy: -334.528
where: short stacking energy: -159.839
Base-Backbone interact. energy: 0.379
local terms energy: -210.413396
where:
bonds (distance) C4'-P energy: -46.414
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -385.077563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.077563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.077563 (E_RNA)
where:
Base-Base interactions energy: -200.449
where: short stacking energy: -101.667
Base-Backbone interact. energy: -0.278
local terms energy: -184.350312
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -11.387
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -213.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.848862 (E_RNA)
where:
Base-Base interactions energy: -60.052
where: short stacking energy: -56.260
Base-Backbone interact. energy: 3.681
local terms energy: -157.477497
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -901.363785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.363785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.363785 (E_RNA)
where:
Base-Base interactions energy: -632.997
where: short stacking energy: -257.174
Base-Backbone interact. energy: -0.678
local terms energy: -267.688603
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -59.552
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -72.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -865.280098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.280098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.280098 (E_RNA)
where:
Base-Base interactions energy: -595.248
where: short stacking energy: -266.916
Base-Backbone interact. energy: -0.322
local terms energy: -269.709390
where:
bonds (distance) C4'-P energy: -49.308
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -55.208
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -77.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -848.102271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.102271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.102271 (E_RNA)
where:
Base-Base interactions energy: -581.589
where: short stacking energy: -258.401
Base-Backbone interact. energy: -0.156
local terms energy: -266.357014
where:
bonds (distance) C4'-P energy: -55.632
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -61.470
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -73.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -794.579827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.579827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.579827 (E_RNA)
where:
Base-Base interactions energy: -521.950
where: short stacking energy: -246.803
Base-Backbone interact. energy: -0.236
local terms energy: -272.393660
where:
bonds (distance) C4'-P energy: -52.074
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -68.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -726.504465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.504465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.504465 (E_RNA)
where:
Base-Base interactions energy: -479.937
where: short stacking energy: -208.199
Base-Backbone interact. energy: -0.862
local terms energy: -245.705156
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -48.146
flat angles C4'-P-C4' energy: -59.632
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -59.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -706.615243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.615243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.615243 (E_RNA)
where:
Base-Base interactions energy: -476.767
where: short stacking energy: -203.576
Base-Backbone interact. energy: -1.259
local terms energy: -228.589259
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -34.424
tors. eta vs tors. theta energy: -51.189
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: 335
Temperature: 1.200000
Total energy: -610.053982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.053982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.053982 (E_RNA)
where:
Base-Base interactions energy: -393.134
where: short stacking energy: -174.421
Base-Backbone interact. energy: -0.342
local terms energy: -216.578026
where:
bonds (distance) C4'-P energy: -42.533
bonds (distance) P-C4' energy: -48.960
flat angles C4'-P-C4' energy: -51.581
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -41.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -561.102854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.102854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.102854 (E_RNA)
where:
Base-Base interactions energy: -366.613
where: short stacking energy: -165.907
Base-Backbone interact. energy: -0.119
local terms energy: -194.370829
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -389.701652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.701652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.701652 (E_RNA)
where:
Base-Base interactions energy: -213.297
where: short stacking energy: -118.763
Base-Backbone interact. energy: -0.565
local terms energy: -175.839886
where:
bonds (distance) C4'-P energy: -45.520
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -231.187119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.187119 (E_RNA)
where:
Base-Base interactions energy: -75.571
where: short stacking energy: -69.955
Base-Backbone interact. energy: -1.101
local terms energy: -154.515066
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -40.305
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: 4.190
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: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -921.114550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.114550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.114550 (E_RNA)
where:
Base-Base interactions energy: -640.798
where: short stacking energy: -267.915
Base-Backbone interact. energy: -1.064
local terms energy: -279.252861
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -51.658
flat angles C4'-P-C4' energy: -59.937
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -71.899
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: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -884.597095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.597095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.597095 (E_RNA)
where:
Base-Base interactions energy: -588.051
where: short stacking energy: -277.004
Base-Backbone interact. energy: -0.284
local terms energy: -296.262397
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -83.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -855.358404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.358404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.358404 (E_RNA)
where:
Base-Base interactions energy: -580.111
where: short stacking energy: -250.284
Base-Backbone interact. energy: -1.701
local terms energy: -273.546399
where:
bonds (distance) C4'-P energy: -46.342
bonds (distance) P-C4' energy: -52.051
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -39.114
tors. eta vs tors. theta energy: -70.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -790.064527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.064527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.064527 (E_RNA)
where:
Base-Base interactions energy: -549.525
where: short stacking energy: -237.533
Base-Backbone interact. energy: -1.880
local terms energy: -238.659347
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -65.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -758.869259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.869259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.869259 (E_RNA)
where:
Base-Base interactions energy: -510.129
where: short stacking energy: -229.952
Base-Backbone interact. energy: -0.620
local terms energy: -248.119591
where:
bonds (distance) C4'-P energy: -41.919
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -31.965
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: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -687.638960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.638960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.638960 (E_RNA)
where:
Base-Base interactions energy: -465.074
where: short stacking energy: -190.377
Base-Backbone interact. energy: -1.189
local terms energy: -221.375442
where:
bonds (distance) C4'-P energy: -50.109
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -44.074
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -46.405
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: 336
Temperature: 1.200000
Total energy: -598.247028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.247028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.247028 (E_RNA)
where:
Base-Base interactions energy: -383.576
where: short stacking energy: -173.672
Base-Backbone interact. energy: -0.823
local terms energy: -213.847484
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -530.853713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.853713 (E_RNA)
where:
Base-Base interactions energy: -332.240
where: short stacking energy: -149.312
Base-Backbone interact. energy: 3.058
local terms energy: -201.671664
where:
bonds (distance) C4'-P energy: -49.177
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -38.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -389.126637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.126637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.126637 (E_RNA)
where:
Base-Base interactions energy: -207.126
where: short stacking energy: -110.322
Base-Backbone interact. energy: -0.684
local terms energy: -181.316758
where:
bonds (distance) C4'-P energy: -44.480
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -46.516
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -222.613675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.613675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.613675 (E_RNA)
where:
Base-Base interactions energy: -69.250
where: short stacking energy: -55.917
Base-Backbone interact. energy: -1.841
local terms energy: -151.522850
where:
bonds (distance) C4'-P energy: -35.188
bonds (distance) P-C4' energy: -49.277
flat angles C4'-P-C4' energy: -54.200
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: 11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -923.379448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.379448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.379448 (E_RNA)
where:
Base-Base interactions energy: -648.328
where: short stacking energy: -265.022
Base-Backbone interact. energy: 0.065
local terms energy: -275.117111
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -70.214
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -866.923603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.923603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.923603 (E_RNA)
where:
Base-Base interactions energy: -595.434
where: short stacking energy: -267.189
Base-Backbone interact. energy: 0.322
local terms energy: -271.811280
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -61.994
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -83.781
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: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -834.381612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.381612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.381612 (E_RNA)
where:
Base-Base interactions energy: -574.805
where: short stacking energy: -255.434
Base-Backbone interact. energy: 0.198
local terms energy: -259.774874
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -60.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -809.090166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.090166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.090166 (E_RNA)
where:
Base-Base interactions energy: -540.666
where: short stacking energy: -235.481
Base-Backbone interact. energy: -1.367
local terms energy: -267.056612
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -74.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -742.531568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.531568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.531568 (E_RNA)
where:
Base-Base interactions energy: -503.389
where: short stacking energy: -236.466
Base-Backbone interact. energy: -0.330
local terms energy: -238.812781
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -70.563
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -646.018557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.018557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.018557 (E_RNA)
where:
Base-Base interactions energy: -451.478
where: short stacking energy: -203.563
Base-Backbone interact. energy: 0.542
local terms energy: -195.082607
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -53.045
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -47.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -652.779163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.779163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.779163 (E_RNA)
where:
Base-Base interactions energy: -436.469
where: short stacking energy: -185.609
Base-Backbone interact. energy: -0.449
local terms energy: -215.860646
where:
bonds (distance) C4'-P energy: -35.533
bonds (distance) P-C4' energy: -54.946
flat angles C4'-P-C4' energy: -42.069
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -49.647
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: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -551.225253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.225253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.225253 (E_RNA)
where:
Base-Base interactions energy: -346.038
where: short stacking energy: -159.430
Base-Backbone interact. energy: -2.092
local terms energy: -203.095234
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -44.118
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -39.484
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: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -404.362570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.362570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.362570 (E_RNA)
where:
Base-Base interactions energy: -219.562
where: short stacking energy: -119.834
Base-Backbone interact. energy: 0.840
local terms energy: -185.640888
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -49.123
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -220.085851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085851 (E_RNA)
where:
Base-Base interactions energy: -77.914
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.381
local terms energy: -141.791224
where:
bonds (distance) C4'-P energy: -47.109
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -4.387
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: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -910.038446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.038446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.038446 (E_RNA)
where:
Base-Base interactions energy: -631.707
where: short stacking energy: -254.323
Base-Backbone interact. energy: -1.559
local terms energy: -276.772050
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -59.672
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -70.226
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -853.364581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.364581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.364581 (E_RNA)
where:
Base-Base interactions energy: -573.806
where: short stacking energy: -259.543
Base-Backbone interact. energy: -2.440
local terms energy: -277.117882
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -55.674
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -75.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -826.320726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.320726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.320726 (E_RNA)
where:
Base-Base interactions energy: -558.755
where: short stacking energy: -251.707
Base-Backbone interact. energy: -1.218
local terms energy: -266.347472
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -40.298
tors. eta vs tors. theta energy: -73.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -819.098340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.098340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.098340 (E_RNA)
where:
Base-Base interactions energy: -552.276
where: short stacking energy: -232.100
Base-Backbone interact. energy: -0.480
local terms energy: -266.342378
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -57.790
flat angles C4'-P-C4' energy: -55.222
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -65.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -723.257340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.257340 (E_RNA)
where:
Base-Base interactions energy: -485.912
where: short stacking energy: -226.296
Base-Backbone interact. energy: -0.545
local terms energy: -236.800807
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -57.048
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -50.114
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: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -667.129085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.129085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.129085 (E_RNA)
where:
Base-Base interactions energy: -442.531
where: short stacking energy: -186.609
Base-Backbone interact. energy: -0.595
local terms energy: -224.003413
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -44.686
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: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -591.768706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.768706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.768706 (E_RNA)
where:
Base-Base interactions energy: -398.698
where: short stacking energy: -152.842
Base-Backbone interact. energy: 3.177
local terms energy: -196.247361
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -35.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -670.606974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.606974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.606974 (E_RNA)
where:
Base-Base interactions energy: -449.015
where: short stacking energy: -193.451
Base-Backbone interact. energy: -0.658
local terms energy: -220.933763
where:
bonds (distance) C4'-P energy: -55.559
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -27.968
tors. eta vs tors. theta energy: -54.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -403.927811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.927811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.927811 (E_RNA)
where:
Base-Base interactions energy: -236.875
where: short stacking energy: -135.453
Base-Backbone interact. energy: -0.607
local terms energy: -166.445696
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -223.349128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.349128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.349128 (E_RNA)
where:
Base-Base interactions energy: -80.534
where: short stacking energy: -64.396
Base-Backbone interact. energy: -1.274
local terms energy: -141.540348
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: 11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -904.094447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.094447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.094447 (E_RNA)
where:
Base-Base interactions energy: -612.548
where: short stacking energy: -248.534
Base-Backbone interact. energy: 3.140
local terms energy: -294.686177
where:
bonds (distance) C4'-P energy: -58.812
bonds (distance) P-C4' energy: -60.914
flat angles C4'-P-C4' energy: -63.557
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -69.802
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: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -860.517346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.517346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.517346 (E_RNA)
where:
Base-Base interactions energy: -574.876
where: short stacking energy: -245.634
Base-Backbone interact. energy: 0.108
local terms energy: -285.749754
where:
bonds (distance) C4'-P energy: -57.821
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -45.359
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: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -821.191183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.191183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.191183 (E_RNA)
where:
Base-Base interactions energy: -568.210
where: short stacking energy: -245.277
Base-Backbone interact. energy: -1.541
local terms energy: -251.439953
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -62.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -854.699126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.699126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.699126 (E_RNA)
where:
Base-Base interactions energy: -584.124
where: short stacking energy: -264.317
Base-Backbone interact. energy: -0.882
local terms energy: -269.692825
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -75.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -713.459166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.459166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.459166 (E_RNA)
where:
Base-Base interactions energy: -464.046
where: short stacking energy: -214.796
Base-Backbone interact. energy: -0.992
local terms energy: -248.420626
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -47.649
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -61.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -677.422161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.422161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.422161 (E_RNA)
where:
Base-Base interactions energy: -447.649
where: short stacking energy: -203.234
Base-Backbone interact. energy: -0.978
local terms energy: -228.795023
where:
bonds (distance) C4'-P energy: -43.173
bonds (distance) P-C4' energy: -44.189
flat angles C4'-P-C4' energy: -48.008
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -57.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -647.040743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.040743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.040743 (E_RNA)
where:
Base-Base interactions energy: -420.774
where: short stacking energy: -186.957
Base-Backbone interact. energy: -0.881
local terms energy: -225.385363
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -59.534
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -39.336
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: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -583.253848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.253848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.253848 (E_RNA)
where:
Base-Base interactions energy: -376.322
where: short stacking energy: -178.324
Base-Backbone interact. energy: -0.557
local terms energy: -206.374915
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -37.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -370.280956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.280956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.280956 (E_RNA)
where:
Base-Base interactions energy: -211.724
where: short stacking energy: -126.461
Base-Backbone interact. energy: 1.808
local terms energy: -160.364845
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -42.126
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -251.465496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.465496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.465496 (E_RNA)
where:
Base-Base interactions energy: -94.330
where: short stacking energy: -93.720
Base-Backbone interact. energy: 0.869
local terms energy: -158.004701
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -45.740
flat angles C4'-P-C4' energy: -38.654
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -16.438
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: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -874.479964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.479964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.479964 (E_RNA)
where:
Base-Base interactions energy: -589.636
where: short stacking energy: -261.728
Base-Backbone interact. energy: -1.407
local terms energy: -283.437044
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -73.600
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: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -899.399824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.399824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.399824 (E_RNA)
where:
Base-Base interactions energy: -640.846
where: short stacking energy: -260.461
Base-Backbone interact. energy: -0.035
local terms energy: -258.518673
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -53.643
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -68.156
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -830.887245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.887245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.887245 (E_RNA)
where:
Base-Base interactions energy: -573.172
where: short stacking energy: -253.062
Base-Backbone interact. energy: -1.619
local terms energy: -256.096634
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -43.632
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: -70.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -810.181560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.181560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.181560 (E_RNA)
where:
Base-Base interactions energy: -545.200
where: short stacking energy: -261.180
Base-Backbone interact. energy: -0.338
local terms energy: -264.643037
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -48.463
flat angles C4'-P-C4' energy: -56.765
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -71.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -718.510440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.510440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.510440 (E_RNA)
where:
Base-Base interactions energy: -482.369
where: short stacking energy: -227.276
Base-Backbone interact. energy: 1.835
local terms energy: -237.975746
where:
bonds (distance) C4'-P energy: -34.922
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -55.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -688.231253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.231253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.231253 (E_RNA)
where:
Base-Base interactions energy: -470.729
where: short stacking energy: -215.512
Base-Backbone interact. energy: 2.354
local terms energy: -219.856028
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -48.271
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -57.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -667.772376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.772376 (E_RNA)
where:
Base-Base interactions energy: -424.337
where: short stacking energy: -193.193
Base-Backbone interact. energy: 0.267
local terms energy: -243.702019
where:
bonds (distance) C4'-P energy: -48.456
bonds (distance) P-C4' energy: -53.620
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -30.273
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: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -567.052035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.052035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.052035 (E_RNA)
where:
Base-Base interactions energy: -378.424
where: short stacking energy: -170.212
Base-Backbone interact. energy: 1.456
local terms energy: -190.084349
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -45.377
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -33.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -393.938077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.938077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.938077 (E_RNA)
where:
Base-Base interactions energy: -213.797
where: short stacking energy: -115.366
Base-Backbone interact. energy: 0.531
local terms energy: -180.671632
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -55.687
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -225.839936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.839936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.839936 (E_RNA)
where:
Base-Base interactions energy: -66.890
where: short stacking energy: -64.263
Base-Backbone interact. energy: -1.414
local terms energy: -157.535690
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -43.094
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -897.280655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.280655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.280655 (E_RNA)
where:
Base-Base interactions energy: -618.738
where: short stacking energy: -287.993
Base-Backbone interact. energy: 0.636
local terms energy: -279.178813
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -50.197
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -84.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -873.798063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.798063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.798063 (E_RNA)
where:
Base-Base interactions energy: -603.353
where: short stacking energy: -248.727
Base-Backbone interact. energy: -2.475
local terms energy: -267.970346
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -51.685
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -69.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -848.625577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.625577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.625577 (E_RNA)
where:
Base-Base interactions energy: -576.628
where: short stacking energy: -262.089
Base-Backbone interact. energy: -2.189
local terms energy: -269.808332
where:
bonds (distance) C4'-P energy: -56.098
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -72.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -789.665763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.665763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.665763 (E_RNA)
where:
Base-Base interactions energy: -554.979
where: short stacking energy: -243.572
Base-Backbone interact. energy: -0.430
local terms energy: -234.256579
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -45.670
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -70.542
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: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -684.218918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.218918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.218918 (E_RNA)
where:
Base-Base interactions energy: -447.210
where: short stacking energy: -204.172
Base-Backbone interact. energy: 0.300
local terms energy: -237.309239
where:
bonds (distance) C4'-P energy: -58.483
bonds (distance) P-C4' energy: -48.141
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -29.369
tors. eta vs tors. theta energy: -53.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -645.544372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.544372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.544372 (E_RNA)
where:
Base-Base interactions energy: -424.394
where: short stacking energy: -189.148
Base-Backbone interact. energy: 0.740
local terms energy: -221.890490
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -44.026
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -47.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -674.700672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.700672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.700672 (E_RNA)
where:
Base-Base interactions energy: -435.609
where: short stacking energy: -183.044
Base-Backbone interact. energy: -0.494
local terms energy: -238.597778
where:
bonds (distance) C4'-P energy: -50.601
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -47.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -590.731583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.731583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.731583 (E_RNA)
where:
Base-Base interactions energy: -389.442
where: short stacking energy: -162.894
Base-Backbone interact. energy: 1.020
local terms energy: -202.310030
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -43.610
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -40.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -356.916212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.916212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.916212 (E_RNA)
where:
Base-Base interactions energy: -188.613
where: short stacking energy: -115.269
Base-Backbone interact. energy: -1.317
local terms energy: -166.986966
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -43.336
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -224.995032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995032 (E_RNA)
where:
Base-Base interactions energy: -89.700
where: short stacking energy: -63.625
Base-Backbone interact. energy: -1.005
local terms energy: -134.290300
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: 7.494
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: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -915.669375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.669375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.669375 (E_RNA)
where:
Base-Base interactions energy: -644.751
where: short stacking energy: -273.926
Base-Backbone interact. energy: 1.346
local terms energy: -272.264756
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -80.857
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: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -860.671417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.671417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.671417 (E_RNA)
where:
Base-Base interactions energy: -584.425
where: short stacking energy: -264.886
Base-Backbone interact. energy: -0.863
local terms energy: -275.382930
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -54.047
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -80.893
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: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -872.831542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.831542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.831542 (E_RNA)
where:
Base-Base interactions energy: -600.110
where: short stacking energy: -264.744
Base-Backbone interact. energy: 1.225
local terms energy: -273.946614
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -60.938
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -72.156
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: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -808.446558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.446558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.446558 (E_RNA)
where:
Base-Base interactions energy: -531.019
where: short stacking energy: -248.766
Base-Backbone interact. energy: -0.696
local terms energy: -276.731348
where:
bonds (distance) C4'-P energy: -45.913
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -36.828
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: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -715.866270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.866270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.866270 (E_RNA)
where:
Base-Base interactions energy: -472.608
where: short stacking energy: -194.344
Base-Backbone interact. energy: -1.901
local terms energy: -241.357136
where:
bonds (distance) C4'-P energy: -51.978
bonds (distance) P-C4' energy: -44.904
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -51.360
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: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -639.635023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.635023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.635023 (E_RNA)
where:
Base-Base interactions energy: -420.651
where: short stacking energy: -175.280
Base-Backbone interact. energy: -1.458
local terms energy: -217.525126
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -669.912720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.912720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.912720 (E_RNA)
where:
Base-Base interactions energy: -440.724
where: short stacking energy: -192.469
Base-Backbone interact. energy: 0.718
local terms energy: -229.907298
where:
bonds (distance) C4'-P energy: -51.829
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -52.144
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: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -565.877173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.877173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.877173 (E_RNA)
where:
Base-Base interactions energy: -377.422
where: short stacking energy: -165.705
Base-Backbone interact. energy: -0.642
local terms energy: -187.813117
where:
bonds (distance) C4'-P energy: -39.129
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -27.640
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: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -381.002207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.002207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.002207 (E_RNA)
where:
Base-Base interactions energy: -210.811
where: short stacking energy: -120.793
Base-Backbone interact. energy: 3.001
local terms energy: -173.192160
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -23.991
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -262.798341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.798341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.798341 (E_RNA)
where:
Base-Base interactions energy: -99.186
where: short stacking energy: -91.333
Base-Backbone interact. energy: -0.892
local terms energy: -162.720842
where:
bonds (distance) C4'-P energy: -55.684
bonds (distance) P-C4' energy: -40.565
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -908.679933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.679933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.679933 (E_RNA)
where:
Base-Base interactions energy: -644.893
where: short stacking energy: -275.334
Base-Backbone interact. energy: -2.027
local terms energy: -261.759763
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -55.828
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -74.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -875.096294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.096294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.096294 (E_RNA)
where:
Base-Base interactions energy: -608.429
where: short stacking energy: -253.971
Base-Backbone interact. energy: 0.029
local terms energy: -266.695328
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -62.056
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -69.334
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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -859.504085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.504085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.504085 (E_RNA)
where:
Base-Base interactions energy: -586.563
where: short stacking energy: -259.516
Base-Backbone interact. energy: -0.763
local terms energy: -272.178373
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -75.551
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: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -842.920717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.920717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.920717 (E_RNA)
where:
Base-Base interactions energy: -591.685
where: short stacking energy: -270.483
Base-Backbone interact. energy: 0.281
local terms energy: -251.516666
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -72.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -726.901493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.901493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.901493 (E_RNA)
where:
Base-Base interactions energy: -481.464
where: short stacking energy: -204.796
Base-Backbone interact. energy: -0.136
local terms energy: -245.302109
where:
bonds (distance) C4'-P energy: -45.847
bonds (distance) P-C4' energy: -57.471
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -692.944828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.944828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.944828 (E_RNA)
where:
Base-Base interactions energy: -466.854
where: short stacking energy: -201.295
Base-Backbone interact. energy: -2.796
local terms energy: -223.295172
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -41.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -620.555245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.555245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.555245 (E_RNA)
where:
Base-Base interactions energy: -406.611
where: short stacking energy: -180.655
Base-Backbone interact. energy: -0.794
local terms energy: -213.150735
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -46.515
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -39.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -560.170129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.170129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.170129 (E_RNA)
where:
Base-Base interactions energy: -363.017
where: short stacking energy: -176.241
Base-Backbone interact. energy: -0.588
local terms energy: -196.565116
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -44.290
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -41.254
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: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -360.619888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.619888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.619888 (E_RNA)
where:
Base-Base interactions energy: -188.376
where: short stacking energy: -101.188
Base-Backbone interact. energy: -1.797
local terms energy: -170.446811
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -48.170
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -223.693729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693729 (E_RNA)
where:
Base-Base interactions energy: -73.754
where: short stacking energy: -47.519
Base-Backbone interact. energy: -0.037
local terms energy: -149.902818
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -41.195
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -921.521568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.521568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.521568 (E_RNA)
where:
Base-Base interactions energy: -634.130
where: short stacking energy: -270.670
Base-Backbone interact. energy: -1.063
local terms energy: -286.328652
where:
bonds (distance) C4'-P energy: -53.232
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -71.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -901.415563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.415563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.415563 (E_RNA)
where:
Base-Base interactions energy: -621.933
where: short stacking energy: -267.166
Base-Backbone interact. energy: -2.468
local terms energy: -277.014665
where:
bonds (distance) C4'-P energy: -54.601
bonds (distance) P-C4' energy: -57.875
flat angles C4'-P-C4' energy: -59.226
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -850.567851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.567851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.567851 (E_RNA)
where:
Base-Base interactions energy: -556.457
where: short stacking energy: -248.988
Base-Backbone interact. energy: -1.722
local terms energy: -292.388783
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -59.939
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -71.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -814.951517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.951517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.951517 (E_RNA)
where:
Base-Base interactions energy: -557.889
where: short stacking energy: -244.424
Base-Backbone interact. energy: -1.251
local terms energy: -255.811391
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -52.103
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -65.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -732.531246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.531246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.531246 (E_RNA)
where:
Base-Base interactions energy: -482.756
where: short stacking energy: -215.512
Base-Backbone interact. energy: 0.989
local terms energy: -250.764013
where:
bonds (distance) C4'-P energy: -52.245
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -45.468
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -65.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -723.110998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.110998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.110998 (E_RNA)
where:
Base-Base interactions energy: -482.283
where: short stacking energy: -221.134
Base-Backbone interact. energy: -0.354
local terms energy: -240.473320
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -42.977
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -62.092
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -609.175937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.175937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.175937 (E_RNA)
where:
Base-Base interactions energy: -400.175
where: short stacking energy: -159.018
Base-Backbone interact. energy: 0.135
local terms energy: -209.136041
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -42.428
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -38.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -610.846328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.846328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.846328 (E_RNA)
where:
Base-Base interactions energy: -409.732
where: short stacking energy: -171.387
Base-Backbone interact. energy: -0.904
local terms energy: -200.210144
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -42.788
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: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -270.234801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.234801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.234801 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.328
local terms energy: -140.807522
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: 8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -400.117858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.117858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.117858 (E_RNA)
where:
Base-Base interactions energy: -223.283
where: short stacking energy: -109.567
Base-Backbone interact. energy: -0.602
local terms energy: -176.232548
where:
bonds (distance) C4'-P energy: -47.581
bonds (distance) P-C4' energy: -51.626
flat angles C4'-P-C4' energy: -33.889
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -18.701
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: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -925.083763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.083763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.083763 (E_RNA)
where:
Base-Base interactions energy: -640.209
where: short stacking energy: -269.288
Base-Backbone interact. energy: -1.181
local terms energy: -283.693806
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -57.470
flat angles C4'-P-C4' energy: -58.538
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -77.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -876.066255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.066255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.066255 (E_RNA)
where:
Base-Base interactions energy: -616.012
where: short stacking energy: -259.603
Base-Backbone interact. energy: -0.635
local terms energy: -259.419210
where:
bonds (distance) C4'-P energy: -49.821
bonds (distance) P-C4' energy: -49.336
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -70.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -835.974612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.974612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.974612 (E_RNA)
where:
Base-Base interactions energy: -555.950
where: short stacking energy: -259.016
Base-Backbone interact. energy: -0.345
local terms energy: -279.679850
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -60.790
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -75.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -802.045465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.045465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.045465 (E_RNA)
where:
Base-Base interactions energy: -550.261
where: short stacking energy: -236.508
Base-Backbone interact. energy: -2.180
local terms energy: -249.605389
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -47.162
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -38.677
tors. eta vs tors. theta energy: -66.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -756.838548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.838548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.838548 (E_RNA)
where:
Base-Base interactions energy: -508.821
where: short stacking energy: -227.313
Base-Backbone interact. energy: 0.359
local terms energy: -248.376558
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -50.298
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -64.627
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -686.663030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.663030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.663030 (E_RNA)
where:
Base-Base interactions energy: -480.132
where: short stacking energy: -218.990
Base-Backbone interact. energy: 0.498
local terms energy: -207.029124
where:
bonds (distance) C4'-P energy: -42.605
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -43.448
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -47.841
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: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -646.309893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.309893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.309893 (E_RNA)
where:
Base-Base interactions energy: -418.203
where: short stacking energy: -185.910
Base-Backbone interact. energy: -0.476
local terms energy: -227.631543
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -50.996
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: -46.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -613.911660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.911660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.911660 (E_RNA)
where:
Base-Base interactions energy: -390.311
where: short stacking energy: -197.060
Base-Backbone interact. energy: -1.966
local terms energy: -221.633752
where:
bonds (distance) C4'-P energy: -44.731
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -43.933
flat angles P-C4'-P energy: -31.182
tors. eta vs tors. theta energy: -57.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -263.631001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.631001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.631001 (E_RNA)
where:
Base-Base interactions energy: -100.069
where: short stacking energy: -73.320
Base-Backbone interact. energy: 2.587
local terms energy: -166.148950
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: 4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -387.459346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.459346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.459346 (E_RNA)
where:
Base-Base interactions energy: -204.400
where: short stacking energy: -113.657
Base-Backbone interact. energy: -0.548
local terms energy: -182.510795
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -41.792
flat angles C4'-P-C4' energy: -46.364
flat angles P-C4'-P energy: -33.195
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -926.771571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.771571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.771571 (E_RNA)
where:
Base-Base interactions energy: -648.666
where: short stacking energy: -261.973
Base-Backbone interact. energy: -2.609
local terms energy: -275.496542
where:
bonds (distance) C4'-P energy: -46.759
bonds (distance) P-C4' energy: -52.720
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -45.369
tors. eta vs tors. theta energy: -69.695
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: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -896.750993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.750993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.750993 (E_RNA)
where:
Base-Base interactions energy: -631.365
where: short stacking energy: -276.553
Base-Backbone interact. energy: -1.183
local terms energy: -264.203086
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -55.225
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -70.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -831.985621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.985621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.985621 (E_RNA)
where:
Base-Base interactions energy: -555.173
where: short stacking energy: -263.746
Base-Backbone interact. energy: -1.077
local terms energy: -275.734943
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -53.377
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -76.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -835.302042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.302042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.302042 (E_RNA)
where:
Base-Base interactions energy: -574.397
where: short stacking energy: -245.329
Base-Backbone interact. energy: -0.342
local terms energy: -260.563430
where:
bonds (distance) C4'-P energy: -46.430
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -42.434
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -787.626643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.626643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.626643 (E_RNA)
where:
Base-Base interactions energy: -538.088
where: short stacking energy: -247.109
Base-Backbone interact. energy: -0.682
local terms energy: -248.856794
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -45.375
flat angles C4'-P-C4' energy: -53.195
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -65.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -694.504059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.504059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.504059 (E_RNA)
where:
Base-Base interactions energy: -468.277
where: short stacking energy: -219.319
Base-Backbone interact. energy: -1.583
local terms energy: -224.644130
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -51.640
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -628.741483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.741483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.741483 (E_RNA)
where:
Base-Base interactions energy: -422.621
where: short stacking energy: -169.587
Base-Backbone interact. energy: -1.002
local terms energy: -205.119267
where:
bonds (distance) C4'-P energy: -35.762
bonds (distance) P-C4' energy: -56.849
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -554.201506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.201506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.201506 (E_RNA)
where:
Base-Base interactions energy: -348.425
where: short stacking energy: -172.127
Base-Backbone interact. energy: -0.474
local terms energy: -205.301693
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -39.910
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -38.396
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: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -377.568808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.568808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.568808 (E_RNA)
where:
Base-Base interactions energy: -198.772
where: short stacking energy: -115.095
Base-Backbone interact. energy: -0.781
local terms energy: -178.015735
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -21.395
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -222.693932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.693932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.693932 (E_RNA)
where:
Base-Base interactions energy: -83.033
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.811
local terms energy: -138.849546
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -43.294
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: 4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -919.037999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.037999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.037999 (E_RNA)
where:
Base-Base interactions energy: -646.752
where: short stacking energy: -272.272
Base-Backbone interact. energy: -1.416
local terms energy: -270.870333
where:
bonds (distance) C4'-P energy: -45.878
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -45.633
tors. eta vs tors. theta energy: -72.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -866.667425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.667425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.667425 (E_RNA)
where:
Base-Base interactions energy: -601.636
where: short stacking energy: -266.667
Base-Backbone interact. energy: -1.881
local terms energy: -263.150553
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -50.426
flat angles C4'-P-C4' energy: -52.697
flat angles P-C4'-P energy: -39.716
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: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -840.364304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.364304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.364304 (E_RNA)
where:
Base-Base interactions energy: -578.280
where: short stacking energy: -250.315
Base-Backbone interact. energy: -1.042
local terms energy: -261.041911
where:
bonds (distance) C4'-P energy: -43.546
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: -69.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -816.666385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.666385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.666385 (E_RNA)
where:
Base-Base interactions energy: -544.529
where: short stacking energy: -218.668
Base-Backbone interact. energy: -0.506
local terms energy: -271.631459
where:
bonds (distance) C4'-P energy: -51.403
bonds (distance) P-C4' energy: -51.690
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -73.965
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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -777.596681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.596681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.596681 (E_RNA)
where:
Base-Base interactions energy: -524.289
where: short stacking energy: -246.289
Base-Backbone interact. energy: -1.349
local terms energy: -251.959040
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -69.986
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: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -646.424069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.424069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.424069 (E_RNA)
where:
Base-Base interactions energy: -428.141
where: short stacking energy: -183.303
Base-Backbone interact. energy: 0.363
local terms energy: -218.646861
where:
bonds (distance) C4'-P energy: -55.829
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -51.245
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -38.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -693.652669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.652669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.652669 (E_RNA)
where:
Base-Base interactions energy: -464.100
where: short stacking energy: -205.166
Base-Backbone interact. energy: -1.843
local terms energy: -227.709588
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -48.881
flat angles P-C4'-P energy: -33.719
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: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -566.891983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.891983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.891983 (E_RNA)
where:
Base-Base interactions energy: -363.440
where: short stacking energy: -161.030
Base-Backbone interact. energy: -0.052
local terms energy: -203.400089
where:
bonds (distance) C4'-P energy: -46.161
bonds (distance) P-C4' energy: -41.759
flat angles C4'-P-C4' energy: -53.689
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -29.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -395.505318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.505318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.505318 (E_RNA)
where:
Base-Base interactions energy: -211.671
where: short stacking energy: -108.526
Base-Backbone interact. energy: -1.297
local terms energy: -182.537491
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -218.314571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.314571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.314571 (E_RNA)
where:
Base-Base interactions energy: -72.816
where: short stacking energy: -59.013
Base-Backbone interact. energy: 0.785
local terms energy: -146.283593
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -48.627
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: 9.840
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: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -900.444601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.444601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.444601 (E_RNA)
where:
Base-Base interactions energy: -621.077
where: short stacking energy: -256.306
Base-Backbone interact. energy: -1.811
local terms energy: -277.557324
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -70.149
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -872.859169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.859169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.859169 (E_RNA)
where:
Base-Base interactions energy: -603.497
where: short stacking energy: -259.349
Base-Backbone interact. energy: -0.648
local terms energy: -268.714024
where:
bonds (distance) C4'-P energy: -55.879
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -56.297
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: -71.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -851.234967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.234967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.234967 (E_RNA)
where:
Base-Base interactions energy: -577.338
where: short stacking energy: -249.196
Base-Backbone interact. energy: 3.147
local terms energy: -277.044886
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -58.514
flat angles C4'-P-C4' energy: -53.856
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -75.018
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: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -833.985650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.985650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.985650 (E_RNA)
where:
Base-Base interactions energy: -567.383
where: short stacking energy: -259.903
Base-Backbone interact. energy: -0.958
local terms energy: -265.644802
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -74.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -762.891029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.891029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.891029 (E_RNA)
where:
Base-Base interactions energy: -517.602
where: short stacking energy: -235.935
Base-Backbone interact. energy: 0.471
local terms energy: -245.759949
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -32.377
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: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -668.057836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.057836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.057836 (E_RNA)
where:
Base-Base interactions energy: -451.929
where: short stacking energy: -187.108
Base-Backbone interact. energy: -1.386
local terms energy: -214.742815
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -43.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -663.631548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.631548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.631548 (E_RNA)
where:
Base-Base interactions energy: -446.421
where: short stacking energy: -182.936
Base-Backbone interact. energy: 0.376
local terms energy: -217.586783
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -47.066
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -539.139871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.139871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.139871 (E_RNA)
where:
Base-Base interactions energy: -348.921
where: short stacking energy: -153.722
Base-Backbone interact. energy: -1.596
local terms energy: -188.623033
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -46.478
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -21.438
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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -395.620124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.620124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.620124 (E_RNA)
where:
Base-Base interactions energy: -208.921
where: short stacking energy: -123.360
Base-Backbone interact. energy: 0.878
local terms energy: -187.577173
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -51.474
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -223.686193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.686193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.686193 (E_RNA)
where:
Base-Base interactions energy: -89.008
where: short stacking energy: -60.094
Base-Backbone interact. energy: -1.529
local terms energy: -133.149205
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: 9.283
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: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -895.987766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.987766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.987766 (E_RNA)
where:
Base-Base interactions energy: -621.112
where: short stacking energy: -260.721
Base-Backbone interact. energy: -0.809
local terms energy: -274.066714
where:
bonds (distance) C4'-P energy: -45.444
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -76.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -880.952294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.952294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.952294 (E_RNA)
where:
Base-Base interactions energy: -588.775
where: short stacking energy: -253.820
Base-Backbone interact. energy: -1.923
local terms energy: -290.254300
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -64.849
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -72.320
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: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -831.908783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.908783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.908783 (E_RNA)
where:
Base-Base interactions energy: -556.248
where: short stacking energy: -264.083
Base-Backbone interact. energy: -0.894
local terms energy: -274.767238
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -50.208
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -68.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -847.545699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.545699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.545699 (E_RNA)
where:
Base-Base interactions energy: -583.594
where: short stacking energy: -254.098
Base-Backbone interact. energy: 0.411
local terms energy: -264.363144
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -54.286
flat angles C4'-P-C4' energy: -47.817
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -73.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -732.350681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.350681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.350681 (E_RNA)
where:
Base-Base interactions energy: -491.943
where: short stacking energy: -209.363
Base-Backbone interact. energy: 1.623
local terms energy: -242.030845
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -55.221
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -714.442200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.442200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.442200 (E_RNA)
where:
Base-Base interactions energy: -500.998
where: short stacking energy: -228.701
Base-Backbone interact. energy: 2.719
local terms energy: -216.163423
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -23.678
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: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -657.198716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.198716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.198716 (E_RNA)
where:
Base-Base interactions energy: -445.390
where: short stacking energy: -183.247
Base-Backbone interact. energy: -2.045
local terms energy: -209.764241
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -43.562
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -553.067569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.067569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.067569 (E_RNA)
where:
Base-Base interactions energy: -363.875
where: short stacking energy: -159.797
Base-Backbone interact. energy: 2.907
local terms energy: -192.100288
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -44.773
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: -31.790
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: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -375.554879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.554879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.554879 (E_RNA)
where:
Base-Base interactions energy: -202.377
where: short stacking energy: -112.058
Base-Backbone interact. energy: 0.549
local terms energy: -173.726774
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -218.451447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.451447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.451447 (E_RNA)
where:
Base-Base interactions energy: -74.601
where: short stacking energy: -68.390
Base-Backbone interact. energy: -2.361
local terms energy: -141.489902
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: 1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -940.083965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.083965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.083965 (E_RNA)
where:
Base-Base interactions energy: -636.771
where: short stacking energy: -260.978
Base-Backbone interact. energy: -0.760
local terms energy: -302.552755
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -58.775
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -77.521
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: 350
Temperature: 0.950000
Total energy: -877.512643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.512643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.512643 (E_RNA)
where:
Base-Base interactions energy: -619.578
where: short stacking energy: -257.533
Base-Backbone interact. energy: -0.173
local terms energy: -257.761073
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -67.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -859.748277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.748277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.748277 (E_RNA)
where:
Base-Base interactions energy: -576.043
where: short stacking energy: -253.105
Base-Backbone interact. energy: -1.325
local terms energy: -282.379839
where:
bonds (distance) C4'-P energy: -61.606
bonds (distance) P-C4' energy: -57.039
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -66.140
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -803.259918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.259918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.259918 (E_RNA)
where:
Base-Base interactions energy: -547.027
where: short stacking energy: -247.314
Base-Backbone interact. energy: -0.638
local terms energy: -255.594451
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -45.805
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -71.706
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: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -741.802242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.802242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.802242 (E_RNA)
where:
Base-Base interactions energy: -505.804
where: short stacking energy: -210.550
Base-Backbone interact. energy: 4.311
local terms energy: -240.308770
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -44.349
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -56.993
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -689.819243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.819243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.819243 (E_RNA)
where:
Base-Base interactions energy: -456.094
where: short stacking energy: -192.616
Base-Backbone interact. energy: -0.698
local terms energy: -233.026982
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -570.032256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.032256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.032256 (E_RNA)
where:
Base-Base interactions energy: -346.868
where: short stacking energy: -160.256
Base-Backbone interact. energy: 1.008
local terms energy: -224.172585
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -29.949
tors. eta vs tors. theta energy: -41.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -645.066014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.066014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.066014 (E_RNA)
where:
Base-Base interactions energy: -432.479
where: short stacking energy: -188.910
Base-Backbone interact. energy: -1.198
local terms energy: -211.389353
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -51.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -391.657317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.657317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.657317 (E_RNA)
where:
Base-Base interactions energy: -223.810
where: short stacking energy: -119.977
Base-Backbone interact. energy: 1.924
local terms energy: -169.771026
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -47.680
flat angles C4'-P-C4' energy: -42.212
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -284.962108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.962108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.962108 (E_RNA)
where:
Base-Base interactions energy: -126.763
where: short stacking energy: -75.588
Base-Backbone interact. energy: 2.347
local terms energy: -160.546053
where:
bonds (distance) C4'-P energy: -40.160
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -15.775
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: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -912.754855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.754855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.754855 (E_RNA)
where:
Base-Base interactions energy: -631.753
where: short stacking energy: -253.999
Base-Backbone interact. energy: -1.727
local terms energy: -279.274537
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -55.359
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -73.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -877.048434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.048434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.048434 (E_RNA)
where:
Base-Base interactions energy: -606.406
where: short stacking energy: -256.256
Base-Backbone interact. energy: -0.314
local terms energy: -270.329299
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -62.280
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -66.375
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -849.546650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.546650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.546650 (E_RNA)
where:
Base-Base interactions energy: -566.388
where: short stacking energy: -245.665
Base-Backbone interact. energy: -1.401
local terms energy: -281.757066
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -51.810
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: -72.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -808.750265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.750265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.750265 (E_RNA)
where:
Base-Base interactions energy: -541.380
where: short stacking energy: -245.430
Base-Backbone interact. energy: -0.826
local terms energy: -266.544302
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -46.315
flat angles C4'-P-C4' energy: -50.909
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -71.379
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: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -700.845323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.845323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.845323 (E_RNA)
where:
Base-Base interactions energy: -479.898
where: short stacking energy: -196.243
Base-Backbone interact. energy: -1.055
local terms energy: -219.892447
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -46.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -617.411519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.411519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.411519 (E_RNA)
where:
Base-Base interactions energy: -401.524
where: short stacking energy: -185.244
Base-Backbone interact. energy: -1.041
local terms energy: -214.847166
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -41.730
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -38.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -643.796331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.796331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.796331 (E_RNA)
where:
Base-Base interactions energy: -424.978
where: short stacking energy: -201.142
Base-Backbone interact. energy: -2.509
local terms energy: -216.310103
where:
bonds (distance) C4'-P energy: -49.114
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -49.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -595.932906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.932906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.932906 (E_RNA)
where:
Base-Base interactions energy: -388.938
where: short stacking energy: -174.288
Base-Backbone interact. energy: -0.351
local terms energy: -206.643839
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -39.423
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -47.297
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: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -372.960740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.960740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.960740 (E_RNA)
where:
Base-Base interactions energy: -214.044
where: short stacking energy: -111.293
Base-Backbone interact. energy: -1.015
local terms energy: -157.901293
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -44.425
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -226.377312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.377312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.377312 (E_RNA)
where:
Base-Base interactions energy: -90.368
where: short stacking energy: -74.667
Base-Backbone interact. energy: 9.976
local terms energy: -145.985747
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -44.279
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -935.987003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.987003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.987003 (E_RNA)
where:
Base-Base interactions energy: -646.605
where: short stacking energy: -277.754
Base-Backbone interact. energy: 0.683
local terms energy: -290.065637
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -60.409
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -78.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -856.246991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.246991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.246991 (E_RNA)
where:
Base-Base interactions energy: -591.554
where: short stacking energy: -250.819
Base-Backbone interact. energy: -1.398
local terms energy: -263.295100
where:
bonds (distance) C4'-P energy: -52.893
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -70.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -843.663541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.663541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.663541 (E_RNA)
where:
Base-Base interactions energy: -576.284
where: short stacking energy: -260.014
Base-Backbone interact. energy: -1.227
local terms energy: -266.151950
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -72.753
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: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -767.304224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.304224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.304224 (E_RNA)
where:
Base-Base interactions energy: -513.823
where: short stacking energy: -241.053
Base-Backbone interact. energy: -1.022
local terms energy: -252.459046
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -58.628
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -67.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -725.456652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.456652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.456652 (E_RNA)
where:
Base-Base interactions energy: -488.544
where: short stacking energy: -228.141
Base-Backbone interact. energy: 0.217
local terms energy: -237.130179
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -50.354
flat angles P-C4'-P energy: -33.822
tors. eta vs tors. theta energy: -62.873
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: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -619.108496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.108496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.108496 (E_RNA)
where:
Base-Base interactions energy: -399.276
where: short stacking energy: -189.629
Base-Backbone interact. energy: -1.368
local terms energy: -218.464060
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -45.581
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -44.013
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: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -622.805667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.805667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.805667 (E_RNA)
where:
Base-Base interactions energy: -407.167
where: short stacking energy: -158.893
Base-Backbone interact. energy: -1.042
local terms energy: -214.596326
where:
bonds (distance) C4'-P energy: -51.001
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -49.291
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -39.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -629.452159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.452159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.452159 (E_RNA)
where:
Base-Base interactions energy: -418.703
where: short stacking energy: -177.652
Base-Backbone interact. energy: -1.683
local terms energy: -209.065407
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -45.176
flat angles C4'-P-C4' energy: -52.581
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -39.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -356.137785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.137785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.137785 (E_RNA)
where:
Base-Base interactions energy: -192.714
where: short stacking energy: -93.994
Base-Backbone interact. energy: 0.684
local terms energy: -164.107926
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -9.656
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: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -235.961486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.961486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.961486 (E_RNA)
where:
Base-Base interactions energy: -108.664
where: short stacking energy: -84.585
Base-Backbone interact. energy: 2.831
local terms energy: -130.127558
where:
bonds (distance) C4'-P energy: -38.148
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -4.170
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: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -904.884434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.884434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.884434 (E_RNA)
where:
Base-Base interactions energy: -627.308
where: short stacking energy: -263.541
Base-Backbone interact. energy: -0.716
local terms energy: -276.860760
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -38.139
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: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -841.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.506202 (E_RNA)
where:
Base-Base interactions energy: -569.421
where: short stacking energy: -265.675
Base-Backbone interact. energy: -0.336
local terms energy: -271.749279
where:
bonds (distance) C4'-P energy: -52.171
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -69.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -837.379945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.379945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.379945 (E_RNA)
where:
Base-Base interactions energy: -578.595
where: short stacking energy: -238.870
Base-Backbone interact. energy: -0.571
local terms energy: -258.213946
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -68.101
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: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -782.030939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.030939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.030939 (E_RNA)
where:
Base-Base interactions energy: -518.906
where: short stacking energy: -250.171
Base-Backbone interact. energy: 0.669
local terms energy: -263.793334
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -54.309
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -28.366
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: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -727.701630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.701630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.701630 (E_RNA)
where:
Base-Base interactions energy: -497.421
where: short stacking energy: -217.821
Base-Backbone interact. energy: -0.600
local terms energy: -229.680284
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -58.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -667.550771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.550771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.550771 (E_RNA)
where:
Base-Base interactions energy: -446.882
where: short stacking energy: -197.121
Base-Backbone interact. energy: 0.660
local terms energy: -221.329274
where:
bonds (distance) C4'-P energy: -38.725
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -50.431
flat angles P-C4'-P energy: -27.334
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -594.621967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.621967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.621967 (E_RNA)
where:
Base-Base interactions energy: -382.070
where: short stacking energy: -180.758
Base-Backbone interact. energy: 0.012
local terms energy: -212.563221
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -41.800
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -45.379
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: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -608.043711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.043711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.043711 (E_RNA)
where:
Base-Base interactions energy: -394.358
where: short stacking energy: -160.725
Base-Backbone interact. energy: -0.343
local terms energy: -213.342697
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -48.276
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -28.148
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: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -322.026854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.026854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.026854 (E_RNA)
where:
Base-Base interactions energy: -168.813
where: short stacking energy: -84.892
Base-Backbone interact. energy: -2.788
local terms energy: -150.426179
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: 3.245
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: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -233.428041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.428041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.428041 (E_RNA)
where:
Base-Base interactions energy: -89.557
where: short stacking energy: -70.623
Base-Backbone interact. energy: 8.306
local terms energy: -152.176962
where:
bonds (distance) C4'-P energy: -37.612
bonds (distance) P-C4' energy: -45.592
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: 4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -893.568529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.568529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.568529 (E_RNA)
where:
Base-Base interactions energy: -612.543
where: short stacking energy: -245.430
Base-Backbone interact. energy: -1.884
local terms energy: -279.141621
where:
bonds (distance) C4'-P energy: -55.426
bonds (distance) P-C4' energy: -46.391
flat angles C4'-P-C4' energy: -60.066
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -71.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -865.134464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.134464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.134464 (E_RNA)
where:
Base-Base interactions energy: -577.771
where: short stacking energy: -257.034
Base-Backbone interact. energy: -0.390
local terms energy: -286.974051
where:
bonds (distance) C4'-P energy: -56.027
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -73.300
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: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -843.035776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.035776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.035776 (E_RNA)
where:
Base-Base interactions energy: -579.265
where: short stacking energy: -263.419
Base-Backbone interact. energy: 1.171
local terms energy: -264.941459
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -75.615
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -768.553683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.553683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.553683 (E_RNA)
where:
Base-Base interactions energy: -517.929
where: short stacking energy: -245.301
Base-Backbone interact. energy: -0.795
local terms energy: -249.829901
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -63.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -720.483465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.483465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.483465 (E_RNA)
where:
Base-Base interactions energy: -490.977
where: short stacking energy: -213.149
Base-Backbone interact. energy: -2.319
local terms energy: -227.187854
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -54.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -631.032665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.032665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.032665 (E_RNA)
where:
Base-Base interactions energy: -405.993
where: short stacking energy: -179.102
Base-Backbone interact. energy: 0.882
local terms energy: -225.920775
where:
bonds (distance) C4'-P energy: -47.558
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -47.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -611.677523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.677523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.677523 (E_RNA)
where:
Base-Base interactions energy: -408.965
where: short stacking energy: -162.220
Base-Backbone interact. energy: -0.123
local terms energy: -202.589530
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -45.289
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -572.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.772810 (E_RNA)
where:
Base-Base interactions energy: -377.969
where: short stacking energy: -156.522
Base-Backbone interact. energy: -1.101
local terms energy: -193.702577
where:
bonds (distance) C4'-P energy: -48.475
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -46.203
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: -32.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -312.634814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.634814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.634814 (E_RNA)
where:
Base-Base interactions energy: -149.959
where: short stacking energy: -96.498
Base-Backbone interact. energy: 2.314
local terms energy: -164.989801
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -7.363
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: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -243.928424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.928424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.928424 (E_RNA)
where:
Base-Base interactions energy: -83.280
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.764
local terms energy: -159.884734
where:
bonds (distance) C4'-P energy: -45.194
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -41.602
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -895.699613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.699613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.699613 (E_RNA)
where:
Base-Base interactions energy: -633.744
where: short stacking energy: -261.563
Base-Backbone interact. energy: -1.420
local terms energy: -260.536180
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -56.655
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -68.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -858.356949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.356949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.356949 (E_RNA)
where:
Base-Base interactions energy: -575.175
where: short stacking energy: -258.042
Base-Backbone interact. energy: -1.776
local terms energy: -281.405583
where:
bonds (distance) C4'-P energy: -58.991
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -76.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -865.302895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.302895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.302895 (E_RNA)
where:
Base-Base interactions energy: -593.958
where: short stacking energy: -253.443
Base-Backbone interact. energy: -1.191
local terms energy: -270.153658
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -37.168
tors. eta vs tors. theta energy: -72.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -790.069915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.069915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.069915 (E_RNA)
where:
Base-Base interactions energy: -529.914
where: short stacking energy: -230.316
Base-Backbone interact. energy: -0.333
local terms energy: -259.822827
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -53.158
flat angles C4'-P-C4' energy: -58.032
flat angles P-C4'-P energy: -34.957
tors. eta vs tors. theta energy: -62.842
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -733.431202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.431202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.431202 (E_RNA)
where:
Base-Base interactions energy: -499.561
where: short stacking energy: -229.013
Base-Backbone interact. energy: -0.792
local terms energy: -233.078291
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -48.397
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -59.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -629.402000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.402000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.402000 (E_RNA)
where:
Base-Base interactions energy: -421.779
where: short stacking energy: -185.548
Base-Backbone interact. energy: 1.907
local terms energy: -209.530750
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -42.807
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -30.937
tors. eta vs tors. theta energy: -46.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -627.156479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.156479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.156479 (E_RNA)
where:
Base-Base interactions energy: -413.373
where: short stacking energy: -186.107
Base-Backbone interact. energy: -0.914
local terms energy: -212.868902
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -48.431
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -30.535
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: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -563.581773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.581773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.581773 (E_RNA)
where:
Base-Base interactions energy: -355.912
where: short stacking energy: -150.084
Base-Backbone interact. energy: 0.013
local terms energy: -207.683123
where:
bonds (distance) C4'-P energy: -45.721
bonds (distance) P-C4' energy: -44.538
flat angles C4'-P-C4' energy: -47.326
flat angles P-C4'-P energy: -29.572
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -292.065830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.065830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.065830 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -96.041
Base-Backbone interact. energy: -0.670
local terms energy: -149.034327
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -36.733
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: 0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -228.218016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218016 (E_RNA)
where:
Base-Base interactions energy: -75.757
where: short stacking energy: -74.073
Base-Backbone interact. energy: -1.053
local terms energy: -151.407688
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -3.343
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: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -892.901583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.901583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.901583 (E_RNA)
where:
Base-Base interactions energy: -622.017
where: short stacking energy: -259.650
Base-Backbone interact. energy: -0.775
local terms energy: -270.110282
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -73.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -863.382369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.382369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.382369 (E_RNA)
where:
Base-Base interactions energy: -588.334
where: short stacking energy: -256.903
Base-Backbone interact. energy: -1.148
local terms energy: -273.900663
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -63.149
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -73.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -784.788193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.788193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.788193 (E_RNA)
where:
Base-Base interactions energy: -535.776
where: short stacking energy: -226.486
Base-Backbone interact. energy: -0.744
local terms energy: -248.268726
where:
bonds (distance) C4'-P energy: -45.246
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -56.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -822.194070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.194070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.194070 (E_RNA)
where:
Base-Base interactions energy: -552.596
where: short stacking energy: -240.742
Base-Backbone interact. energy: -0.238
local terms energy: -269.360062
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -62.314
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -72.963
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: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -726.164938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.164938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.164938 (E_RNA)
where:
Base-Base interactions energy: -491.104
where: short stacking energy: -220.293
Base-Backbone interact. energy: -0.001
local terms energy: -235.060754
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -27.735
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: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -639.377710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.377710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.377710 (E_RNA)
where:
Base-Base interactions energy: -421.736
where: short stacking energy: -176.648
Base-Backbone interact. energy: -0.567
local terms energy: -217.075201
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -40.993
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: -47.166
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: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -598.512677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.512677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.512677 (E_RNA)
where:
Base-Base interactions energy: -387.804
where: short stacking energy: -175.186
Base-Backbone interact. energy: -0.574
local terms energy: -210.134963
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -30.249
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: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -582.413703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.413703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.413703 (E_RNA)
where:
Base-Base interactions energy: -362.869
where: short stacking energy: -170.239
Base-Backbone interact. energy: -1.307
local terms energy: -218.237619
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -51.645
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -295.276186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.276186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.276186 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -100.307
Base-Backbone interact. energy: 0.720
local terms energy: -155.204743
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -280.039508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.039508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.039508 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -75.989
Base-Backbone interact. energy: 2.050
local terms energy: -148.525894
where:
bonds (distance) C4'-P energy: -43.603
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -911.718414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.718414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.718414 (E_RNA)
where:
Base-Base interactions energy: -617.351
where: short stacking energy: -251.866
Base-Backbone interact. energy: -2.544
local terms energy: -291.823226
where:
bonds (distance) C4'-P energy: -53.483
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -73.905
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -848.213022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.213022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.213022 (E_RNA)
where:
Base-Base interactions energy: -572.910
where: short stacking energy: -258.436
Base-Backbone interact. energy: 1.442
local terms energy: -276.745077
where:
bonds (distance) C4'-P energy: -56.798
bonds (distance) P-C4' energy: -46.021
flat angles C4'-P-C4' energy: -60.445
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -778.969550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.969550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.969550 (E_RNA)
where:
Base-Base interactions energy: -529.331
where: short stacking energy: -240.392
Base-Backbone interact. energy: -2.061
local terms energy: -247.577775
where:
bonds (distance) C4'-P energy: -56.643
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -54.339
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -64.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -839.632742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.632742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.632742 (E_RNA)
where:
Base-Base interactions energy: -587.112
where: short stacking energy: -247.531
Base-Backbone interact. energy: -0.637
local terms energy: -251.883969
where:
bonds (distance) C4'-P energy: -45.514
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -52.413
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -65.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -743.212227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.212227 (E_RNA)
where:
Base-Base interactions energy: -515.782
where: short stacking energy: -235.249
Base-Backbone interact. energy: 1.266
local terms energy: -228.695640
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -65.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -618.999292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.999292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.999292 (E_RNA)
where:
Base-Base interactions energy: -402.165
where: short stacking energy: -186.217
Base-Backbone interact. energy: -0.701
local terms energy: -216.133704
where:
bonds (distance) C4'-P energy: -44.743
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -44.596
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -43.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -547.080578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.080578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.080578 (E_RNA)
where:
Base-Base interactions energy: -338.112
where: short stacking energy: -138.651
Base-Backbone interact. energy: -0.378
local terms energy: -208.590713
where:
bonds (distance) C4'-P energy: -46.050
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -52.748
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -32.489
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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -587.707566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.707566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.707566 (E_RNA)
where:
Base-Base interactions energy: -367.548
where: short stacking energy: -166.754
Base-Backbone interact. energy: -0.196
local terms energy: -219.962996
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: -42.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -330.214432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.214432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.214432 (E_RNA)
where:
Base-Base interactions energy: -175.882
where: short stacking energy: -105.561
Base-Backbone interact. energy: 4.721
local terms energy: -159.053147
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -51.147
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -3.950
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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -225.773201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.773201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.773201 (E_RNA)
where:
Base-Base interactions energy: -59.659
where: short stacking energy: -58.054
Base-Backbone interact. energy: 1.417
local terms energy: -167.531974
where:
bonds (distance) C4'-P energy: -44.824
bonds (distance) P-C4' energy: -49.498
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: 4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -899.653918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.653918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.653918 (E_RNA)
where:
Base-Base interactions energy: -614.857
where: short stacking energy: -261.907
Base-Backbone interact. energy: -1.301
local terms energy: -283.495482
where:
bonds (distance) C4'-P energy: -56.153
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -57.404
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -72.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -858.621165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.621165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.621165 (E_RNA)
where:
Base-Base interactions energy: -580.820
where: short stacking energy: -264.267
Base-Backbone interact. energy: -1.614
local terms energy: -276.187829
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -56.726
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -80.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -839.308720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.308720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.308720 (E_RNA)
where:
Base-Base interactions energy: -562.723
where: short stacking energy: -245.694
Base-Backbone interact. energy: 0.950
local terms energy: -277.535258
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -67.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -768.521051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.521051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.521051 (E_RNA)
where:
Base-Base interactions energy: -515.549
where: short stacking energy: -228.726
Base-Backbone interact. energy: -0.653
local terms energy: -252.318716
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -57.504
flat angles P-C4'-P energy: -39.130
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: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -725.730833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.730833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.730833 (E_RNA)
where:
Base-Base interactions energy: -494.395
where: short stacking energy: -223.221
Base-Backbone interact. energy: -1.244
local terms energy: -230.092295
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -57.716
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: 358
Temperature: 1.150000
Total energy: -632.399135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.399135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.399135 (E_RNA)
where:
Base-Base interactions energy: -419.069
where: short stacking energy: -185.105
Base-Backbone interact. energy: -0.785
local terms energy: -212.545267
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -30.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -630.652838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.652838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.652838 (E_RNA)
where:
Base-Base interactions energy: -420.653
where: short stacking energy: -187.935
Base-Backbone interact. energy: 0.709
local terms energy: -210.709273
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -554.165412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.165412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.165412 (E_RNA)
where:
Base-Base interactions energy: -357.383
where: short stacking energy: -153.909
Base-Backbone interact. energy: -1.617
local terms energy: -195.166203
where:
bonds (distance) C4'-P energy: -42.939
bonds (distance) P-C4' energy: -44.138
flat angles C4'-P-C4' energy: -47.600
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -36.459
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: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -326.562986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.562986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.562986 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -90.119
Base-Backbone interact. energy: -1.276
local terms energy: -164.949502
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -6.547
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: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -248.507735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.507735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.507735 (E_RNA)
where:
Base-Base interactions energy: -114.204
where: short stacking energy: -88.203
Base-Backbone interact. energy: -0.006
local terms energy: -134.298188
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -0.556
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -902.455590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.455590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.455590 (E_RNA)
where:
Base-Base interactions energy: -609.077
where: short stacking energy: -251.767
Base-Backbone interact. energy: -3.071
local terms energy: -290.307996
where:
bonds (distance) C4'-P energy: -57.999
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -854.548795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.548795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.548795 (E_RNA)
where:
Base-Base interactions energy: -593.521
where: short stacking energy: -262.677
Base-Backbone interact. energy: -1.309
local terms energy: -259.718648
where:
bonds (distance) C4'-P energy: -43.044
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -75.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -890.675160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.675160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.675160 (E_RNA)
where:
Base-Base interactions energy: -615.503
where: short stacking energy: -263.802
Base-Backbone interact. energy: -0.629
local terms energy: -274.543229
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -70.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -752.357719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.357719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.357719 (E_RNA)
where:
Base-Base interactions energy: -503.995
where: short stacking energy: -207.183
Base-Backbone interact. energy: 1.071
local terms energy: -249.434257
where:
bonds (distance) C4'-P energy: -43.564
bonds (distance) P-C4' energy: -49.312
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -63.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -728.093344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.093344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.093344 (E_RNA)
where:
Base-Base interactions energy: -498.932
where: short stacking energy: -217.525
Base-Backbone interact. energy: -0.488
local terms energy: -228.673748
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -44.789
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -54.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -690.414287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.414287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.414287 (E_RNA)
where:
Base-Base interactions energy: -467.867
where: short stacking energy: -218.359
Base-Backbone interact. energy: -0.227
local terms energy: -222.320189
where:
bonds (distance) C4'-P energy: -46.167
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -45.471
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -55.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -646.410275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.410275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.410275 (E_RNA)
where:
Base-Base interactions energy: -420.732
where: short stacking energy: -179.739
Base-Backbone interact. energy: 1.938
local terms energy: -227.616180
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -52.114
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: 359
Temperature: 1.250000
Total energy: -576.996684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.996684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.996684 (E_RNA)
where:
Base-Base interactions energy: -374.946
where: short stacking energy: -150.634
Base-Backbone interact. energy: -0.642
local terms energy: -201.409080
where:
bonds (distance) C4'-P energy: -31.377
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -49.551
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -329.570148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.570148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.570148 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -88.091
Base-Backbone interact. energy: -0.807
local terms energy: -160.403805
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -51.777
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -233.061886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.061886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.061886 (E_RNA)
where:
Base-Base interactions energy: -77.566
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.997
local terms energy: -154.499674
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -3.683
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: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -888.433330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.433330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.433330 (E_RNA)
where:
Base-Base interactions energy: -622.289
where: short stacking energy: -259.089
Base-Backbone interact. energy: -1.637
local terms energy: -264.507654
where:
bonds (distance) C4'-P energy: -43.810
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -857.622801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.622801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.622801 (E_RNA)
where:
Base-Base interactions energy: -605.242
where: short stacking energy: -269.809
Base-Backbone interact. energy: -1.494
local terms energy: -250.887705
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -42.225
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -69.880
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: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -877.511916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.511916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.511916 (E_RNA)
where:
Base-Base interactions energy: -613.431
where: short stacking energy: -267.150
Base-Backbone interact. energy: -1.963
local terms energy: -262.117531
where:
bonds (distance) C4'-P energy: -41.844
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -58.316
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -72.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -768.539298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.539298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.539298 (E_RNA)
where:
Base-Base interactions energy: -522.472
where: short stacking energy: -220.253
Base-Backbone interact. energy: -0.314
local terms energy: -245.753119
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: -65.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -743.017626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.017626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.017626 (E_RNA)
where:
Base-Base interactions energy: -486.202
where: short stacking energy: -220.960
Base-Backbone interact. energy: -1.413
local terms energy: -255.401925
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -59.027
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -64.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -679.610674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.610674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.610674 (E_RNA)
where:
Base-Base interactions energy: -457.490
where: short stacking energy: -202.086
Base-Backbone interact. energy: -1.362
local terms energy: -220.759106
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -37.936
flat angles C4'-P-C4' energy: -46.966
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -45.301
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: 360
Temperature: 1.200000
Total energy: -617.706984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.706984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.706984 (E_RNA)
where:
Base-Base interactions energy: -388.521
where: short stacking energy: -166.453
Base-Backbone interact. energy: 0.162
local terms energy: -229.348031
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -44.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -579.922317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.922317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.922317 (E_RNA)
where:
Base-Base interactions energy: -388.811
where: short stacking energy: -171.705
Base-Backbone interact. energy: -0.676
local terms energy: -190.435593
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -52.395
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -38.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -309.949632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.949632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.949632 (E_RNA)
where:
Base-Base interactions energy: -155.861
where: short stacking energy: -105.269
Base-Backbone interact. energy: 3.413
local terms energy: -157.501892
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -44.501
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -12.895
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: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -209.930028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.930028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.930028 (E_RNA)
where:
Base-Base interactions energy: -78.768
where: short stacking energy: -68.500
Base-Backbone interact. energy: 1.824
local terms energy: -132.985901
where:
bonds (distance) C4'-P energy: -44.230
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: 8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -897.465457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.465457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.465457 (E_RNA)
where:
Base-Base interactions energy: -624.210
where: short stacking energy: -254.943
Base-Backbone interact. energy: -1.286
local terms energy: -271.969092
where:
bonds (distance) C4'-P energy: -57.756
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -61.291
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: -71.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -882.018278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.018278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.018278 (E_RNA)
where:
Base-Base interactions energy: -597.842
where: short stacking energy: -263.509
Base-Backbone interact. energy: 0.224
local terms energy: -284.399819
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -63.796
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -72.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -853.431780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.431780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.431780 (E_RNA)
where:
Base-Base interactions energy: -577.215
where: short stacking energy: -264.820
Base-Backbone interact. energy: -0.838
local terms energy: -275.378052
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -48.448
flat angles C4'-P-C4' energy: -63.516
flat angles P-C4'-P energy: -39.819
tors. eta vs tors. theta energy: -79.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -784.371263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.371263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.371263 (E_RNA)
where:
Base-Base interactions energy: -532.592
where: short stacking energy: -247.910
Base-Backbone interact. energy: 1.113
local terms energy: -252.891483
where:
bonds (distance) C4'-P energy: -50.659
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -53.761
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -61.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -757.074224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.074224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.074224 (E_RNA)
where:
Base-Base interactions energy: -516.604
where: short stacking energy: -236.137
Base-Backbone interact. energy: 0.219
local terms energy: -240.689426
where:
bonds (distance) C4'-P energy: -44.830
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -661.070300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.070300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.070300 (E_RNA)
where:
Base-Base interactions energy: -437.860
where: short stacking energy: -189.547
Base-Backbone interact. energy: -0.547
local terms energy: -222.663489
where:
bonds (distance) C4'-P energy: -46.431
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -39.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -616.532498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.532498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.532498 (E_RNA)
where:
Base-Base interactions energy: -394.270
where: short stacking energy: -173.147
Base-Backbone interact. energy: -2.744
local terms energy: -219.518588
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -29.472
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: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -609.089755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.089755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.089755 (E_RNA)
where:
Base-Base interactions energy: -392.407
where: short stacking energy: -168.035
Base-Backbone interact. energy: 0.468
local terms energy: -217.150779
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -53.862
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -41.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -328.918356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.918356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.918356 (E_RNA)
where:
Base-Base interactions energy: -166.863
where: short stacking energy: -80.137
Base-Backbone interact. energy: -0.746
local terms energy: -161.309785
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -209.530943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.530943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.530943 (E_RNA)
where:
Base-Base interactions energy: -78.147
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.764
local terms energy: -130.619186
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: 1.932
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: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -892.160951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.160951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.160951 (E_RNA)
where:
Base-Base interactions energy: -612.494
where: short stacking energy: -244.602
Base-Backbone interact. energy: -1.782
local terms energy: -277.884649
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -57.906
flat angles C4'-P-C4' energy: -60.214
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: -73.841
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -880.839227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.839227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.839227 (E_RNA)
where:
Base-Base interactions energy: -604.007
where: short stacking energy: -257.160
Base-Backbone interact. energy: -0.730
local terms energy: -276.102453
where:
bonds (distance) C4'-P energy: -56.447
bonds (distance) P-C4' energy: -50.039
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -74.708
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: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -869.256342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.256342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.256342 (E_RNA)
where:
Base-Base interactions energy: -601.537
where: short stacking energy: -260.885
Base-Backbone interact. energy: -1.336
local terms energy: -266.383422
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -54.118
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -81.750
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: 362
Temperature: 1.050000
Total energy: -773.292492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.292492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.292492 (E_RNA)
where:
Base-Base interactions energy: -520.714
where: short stacking energy: -238.155
Base-Backbone interact. energy: 2.127
local terms energy: -254.704898
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -55.731
flat angles C4'-P-C4' energy: -48.853
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -69.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -705.565890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.565890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.565890 (E_RNA)
where:
Base-Base interactions energy: -469.849
where: short stacking energy: -212.609
Base-Backbone interact. energy: -1.443
local terms energy: -234.273796
where:
bonds (distance) C4'-P energy: -55.854
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -52.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -660.486478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.486478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.486478 (E_RNA)
where:
Base-Base interactions energy: -441.380
where: short stacking energy: -184.091
Base-Backbone interact. energy: -0.586
local terms energy: -218.521264
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -44.253
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -48.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -616.232051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.232051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.232051 (E_RNA)
where:
Base-Base interactions energy: -396.164
where: short stacking energy: -180.836
Base-Backbone interact. energy: -2.071
local terms energy: -217.996510
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -33.989
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -591.112858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.112858 (E_RNA)
where:
Base-Base interactions energy: -373.101
where: short stacking energy: -170.737
Base-Backbone interact. energy: -1.720
local terms energy: -216.291844
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -44.445
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -35.396
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -337.616335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.616335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.616335 (E_RNA)
where:
Base-Base interactions energy: -168.009
where: short stacking energy: -93.618
Base-Backbone interact. energy: 1.104
local terms energy: -170.711513
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -48.404
flat angles P-C4'-P energy: -33.145
tors. eta vs tors. theta energy: -5.114
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: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -228.575412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.575412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.575412 (E_RNA)
where:
Base-Base interactions energy: -82.951
where: short stacking energy: -63.138
Base-Backbone interact. energy: -1.201
local terms energy: -144.423195
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -49.705
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: 6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -884.480396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.480396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.480396 (E_RNA)
where:
Base-Base interactions energy: -615.394
where: short stacking energy: -247.017
Base-Backbone interact. energy: 0.141
local terms energy: -269.227346
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -49.737
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -73.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -875.438639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.438639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.438639 (E_RNA)
where:
Base-Base interactions energy: -608.003
where: short stacking energy: -262.253
Base-Backbone interact. energy: -0.692
local terms energy: -266.743644
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -52.594
flat angles C4'-P-C4' energy: -54.811
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -67.491
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: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -843.194605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.194605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.194605 (E_RNA)
where:
Base-Base interactions energy: -564.107
where: short stacking energy: -246.588
Base-Backbone interact. energy: -1.095
local terms energy: -277.992051
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -57.679
flat angles C4'-P-C4' energy: -58.057
flat angles P-C4'-P energy: -42.199
tors. eta vs tors. theta energy: -67.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -784.226280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.226280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.226280 (E_RNA)
where:
Base-Base interactions energy: -523.567
where: short stacking energy: -238.437
Base-Backbone interact. energy: -1.136
local terms energy: -259.522429
where:
bonds (distance) C4'-P energy: -49.382
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -63.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -740.194360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.194360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.194360 (E_RNA)
where:
Base-Base interactions energy: -487.679
where: short stacking energy: -225.943
Base-Backbone interact. energy: -0.322
local terms energy: -252.193187
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -52.698
flat angles C4'-P-C4' energy: -52.217
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -62.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -641.422969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.422969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.422969 (E_RNA)
where:
Base-Base interactions energy: -422.432
where: short stacking energy: -183.735
Base-Backbone interact. energy: -0.609
local terms energy: -218.381695
where:
bonds (distance) C4'-P energy: -56.761
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -32.185
tors. eta vs tors. theta energy: -42.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -606.083755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.083755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.083755 (E_RNA)
where:
Base-Base interactions energy: -402.620
where: short stacking energy: -167.257
Base-Backbone interact. energy: 2.514
local terms energy: -205.977776
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -45.916
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -555.251854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.251854 (E_RNA)
where:
Base-Base interactions energy: -367.692
where: short stacking energy: -169.029
Base-Backbone interact. energy: -1.350
local terms energy: -186.209796
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -50.913
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -34.456
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -338.387699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.387699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.387699 (E_RNA)
where:
Base-Base interactions energy: -175.516
where: short stacking energy: -100.775
Base-Backbone interact. energy: -1.760
local terms energy: -161.110963
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -48.672
flat angles C4'-P-C4' energy: -47.817
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: 3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -223.281566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.281566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.281566 (E_RNA)
where:
Base-Base interactions energy: -87.878
where: short stacking energy: -63.436
Base-Backbone interact. energy: 1.936
local terms energy: -137.339586
where:
bonds (distance) C4'-P energy: -40.743
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -38.124
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: 8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -889.572815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.572815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.572815 (E_RNA)
where:
Base-Base interactions energy: -606.776
where: short stacking energy: -251.047
Base-Backbone interact. energy: -0.263
local terms energy: -282.533312
where:
bonds (distance) C4'-P energy: -52.277
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -65.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -881.605893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.605893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.605893 (E_RNA)
where:
Base-Base interactions energy: -597.854
where: short stacking energy: -256.979
Base-Backbone interact. energy: -0.140
local terms energy: -283.611905
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -51.625
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -42.430
tors. eta vs tors. theta energy: -70.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -784.585106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.585106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.585106 (E_RNA)
where:
Base-Base interactions energy: -534.146
where: short stacking energy: -227.279
Base-Backbone interact. energy: -1.534
local terms energy: -248.905584
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -58.045
flat angles P-C4'-P energy: -39.403
tors. eta vs tors. theta energy: -58.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -824.357796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.357796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.357796 (E_RNA)
where:
Base-Base interactions energy: -556.540
where: short stacking energy: -258.915
Base-Backbone interact. energy: -0.486
local terms energy: -267.331781
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -70.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -724.712616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.712616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.712616 (E_RNA)
where:
Base-Base interactions energy: -493.857
where: short stacking energy: -209.514
Base-Backbone interact. energy: 0.153
local terms energy: -231.008877
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -45.196
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: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -652.587151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.587151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.587151 (E_RNA)
where:
Base-Base interactions energy: -430.170
where: short stacking energy: -190.942
Base-Backbone interact. energy: 1.565
local terms energy: -223.982513
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -50.822
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -42.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -582.373140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.373140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.373140 (E_RNA)
where:
Base-Base interactions energy: -369.164
where: short stacking energy: -181.013
Base-Backbone interact. energy: 0.539
local terms energy: -213.748488
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -47.233
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -48.131
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: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -544.187072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.187072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.187072 (E_RNA)
where:
Base-Base interactions energy: -345.829
where: short stacking energy: -147.886
Base-Backbone interact. energy: -1.285
local terms energy: -197.073190
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -330.508944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.508944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.508944 (E_RNA)
where:
Base-Base interactions energy: -167.453
where: short stacking energy: -87.385
Base-Backbone interact. energy: -0.615
local terms energy: -162.441718
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -43.795
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -233.037828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.037828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.037828 (E_RNA)
where:
Base-Base interactions energy: -76.356
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.314
local terms energy: -156.367647
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -890.503947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.503947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.503947 (E_RNA)
where:
Base-Base interactions energy: -624.233
where: short stacking energy: -251.190
Base-Backbone interact. energy: 0.406
local terms energy: -266.676523
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -56.884
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -73.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -871.742445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.742445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.742445 (E_RNA)
where:
Base-Base interactions energy: -605.529
where: short stacking energy: -259.124
Base-Backbone interact. energy: -1.237
local terms energy: -264.976219
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -47.748
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -66.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -800.128342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.128342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.128342 (E_RNA)
where:
Base-Base interactions energy: -537.884
where: short stacking energy: -240.190
Base-Backbone interact. energy: -0.092
local terms energy: -262.152019
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -58.348
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -72.525
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -812.420012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.420012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.420012 (E_RNA)
where:
Base-Base interactions energy: -549.874
where: short stacking energy: -248.272
Base-Backbone interact. energy: -0.684
local terms energy: -261.862182
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -36.178
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -744.531279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.531279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.531279 (E_RNA)
where:
Base-Base interactions energy: -493.915
where: short stacking energy: -221.185
Base-Backbone interact. energy: -0.563
local terms energy: -250.053314
where:
bonds (distance) C4'-P energy: -39.947
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -59.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -652.829552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.829552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.829552 (E_RNA)
where:
Base-Base interactions energy: -443.809
where: short stacking energy: -193.542
Base-Backbone interact. energy: -1.124
local terms energy: -207.897384
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -46.540
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -37.527
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -608.173624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.173624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.173624 (E_RNA)
where:
Base-Base interactions energy: -394.397
where: short stacking energy: -170.959
Base-Backbone interact. energy: -0.649
local terms energy: -213.127317
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -39.036
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -577.242010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.242010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.242010 (E_RNA)
where:
Base-Base interactions energy: -371.540
where: short stacking energy: -166.269
Base-Backbone interact. energy: 1.088
local terms energy: -206.790573
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -36.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -327.116014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.116014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.116014 (E_RNA)
where:
Base-Base interactions energy: -168.958
where: short stacking energy: -87.501
Base-Backbone interact. energy: -2.327
local terms energy: -155.830914
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -227.488825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488825 (E_RNA)
where:
Base-Base interactions energy: -93.857
where: short stacking energy: -59.408
Base-Backbone interact. energy: 0.114
local terms energy: -133.745848
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: 9.933
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: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -896.576851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.576851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.576851 (E_RNA)
where:
Base-Base interactions energy: -613.136
where: short stacking energy: -282.601
Base-Backbone interact. energy: 0.184
local terms energy: -283.624598
where:
bonds (distance) C4'-P energy: -54.463
bonds (distance) P-C4' energy: -46.708
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -76.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -879.462258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.462258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.462258 (E_RNA)
where:
Base-Base interactions energy: -609.631
where: short stacking energy: -248.371
Base-Backbone interact. energy: -0.364
local terms energy: -269.467192
where:
bonds (distance) C4'-P energy: -54.726
bonds (distance) P-C4' energy: -52.248
flat angles C4'-P-C4' energy: -62.051
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -72.539
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -817.825644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.825644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.825644 (E_RNA)
where:
Base-Base interactions energy: -542.702
where: short stacking energy: -260.110
Base-Backbone interact. energy: -1.132
local terms energy: -273.991505
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -54.695
flat angles C4'-P-C4' energy: -53.784
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -72.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -745.614479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.614479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.614479 (E_RNA)
where:
Base-Base interactions energy: -489.805
where: short stacking energy: -220.288
Base-Backbone interact. energy: -1.882
local terms energy: -253.927611
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -54.270
flat angles C4'-P-C4' energy: -57.101
flat angles P-C4'-P energy: -32.834
tors. eta vs tors. theta energy: -59.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -732.916353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.916353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.916353 (E_RNA)
where:
Base-Base interactions energy: -502.875
where: short stacking energy: -234.122
Base-Backbone interact. energy: -0.717
local terms energy: -229.324742
where:
bonds (distance) C4'-P energy: -40.954
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -49.005
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: -68.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -654.168257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.168257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.168257 (E_RNA)
where:
Base-Base interactions energy: -450.971
where: short stacking energy: -184.947
Base-Backbone interact. energy: 0.729
local terms energy: -203.926147
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -40.559
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -617.172851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.172851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.172851 (E_RNA)
where:
Base-Base interactions energy: -413.576
where: short stacking energy: -192.336
Base-Backbone interact. energy: -0.967
local terms energy: -202.630158
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -50.118
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -585.098531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.098531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.098531 (E_RNA)
where:
Base-Base interactions energy: -376.386
where: short stacking energy: -177.565
Base-Backbone interact. energy: 0.868
local terms energy: -209.580320
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -40.624
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -316.124737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.124737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.124737 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -77.442
Base-Backbone interact. energy: 4.964
local terms energy: -154.284929
where:
bonds (distance) C4'-P energy: -44.548
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -27.696
tors. eta vs tors. theta energy: -7.247
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: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -233.449218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449218 (E_RNA)
where:
Base-Base interactions energy: -82.619
where: short stacking energy: -68.982
Base-Backbone interact. energy: 0.584
local terms energy: -151.413884
where:
bonds (distance) C4'-P energy: -52.487
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: 8.247
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: 367
Temperature: 0.900000
Total energy: -897.939816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.939816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.939816 (E_RNA)
where:
Base-Base interactions energy: -616.330
where: short stacking energy: -266.260
Base-Backbone interact. energy: -0.754
local terms energy: -280.855524
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -58.005
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -73.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -874.531810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.531810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.531810 (E_RNA)
where:
Base-Base interactions energy: -595.150
where: short stacking energy: -269.251
Base-Backbone interact. energy: -1.227
local terms energy: -278.154753
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -860.350330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.350330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.350330 (E_RNA)
where:
Base-Base interactions energy: -595.307
where: short stacking energy: -242.235
Base-Backbone interact. energy: -1.165
local terms energy: -263.878502
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -57.032
flat angles P-C4'-P energy: -40.660
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: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -766.748601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.748601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.748601 (E_RNA)
where:
Base-Base interactions energy: -514.435
where: short stacking energy: -230.116
Base-Backbone interact. energy: -1.050
local terms energy: -251.264091
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -52.172
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -53.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -725.667787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.667787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.667787 (E_RNA)
where:
Base-Base interactions energy: -474.007
where: short stacking energy: -206.802
Base-Backbone interact. energy: -1.792
local terms energy: -249.869172
where:
bonds (distance) C4'-P energy: -55.229
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -47.776
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -52.820
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: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -685.127269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.127269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.127269 (E_RNA)
where:
Base-Base interactions energy: -445.811
where: short stacking energy: -200.375
Base-Backbone interact. energy: 0.791
local terms energy: -240.107839
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -61.882
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -48.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -607.966841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.966841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.966841 (E_RNA)
where:
Base-Base interactions energy: -405.370
where: short stacking energy: -179.363
Base-Backbone interact. energy: 0.618
local terms energy: -203.215194
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -564.234662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.234662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.234662 (E_RNA)
where:
Base-Base interactions energy: -368.679
where: short stacking energy: -162.680
Base-Backbone interact. energy: -1.021
local terms energy: -194.534769
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -47.128
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -31.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -319.554655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.554655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.554655 (E_RNA)
where:
Base-Base interactions energy: -171.810
where: short stacking energy: -87.261
Base-Backbone interact. energy: 1.048
local terms energy: -148.792269
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -225.970588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.970588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.970588 (E_RNA)
where:
Base-Base interactions energy: -79.910
where: short stacking energy: -65.652
Base-Backbone interact. energy: 0.131
local terms energy: -146.191438
where:
bonds (distance) C4'-P energy: -52.239
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -27.144
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: 3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -908.370446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.370446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.370446 (E_RNA)
where:
Base-Base interactions energy: -641.298
where: short stacking energy: -273.577
Base-Backbone interact. energy: -1.397
local terms energy: -265.675553
where:
bonds (distance) C4'-P energy: -44.263
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -73.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -877.155370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.155370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.155370 (E_RNA)
where:
Base-Base interactions energy: -595.381
where: short stacking energy: -276.118
Base-Backbone interact. energy: -0.178
local terms energy: -281.596138
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -47.561
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -83.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -867.394672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.394672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.394672 (E_RNA)
where:
Base-Base interactions energy: -604.292
where: short stacking energy: -246.164
Base-Backbone interact. energy: -1.023
local terms energy: -262.079209
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -56.376
flat angles P-C4'-P energy: -46.591
tors. eta vs tors. theta energy: -67.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -748.510534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.510534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.510534 (E_RNA)
where:
Base-Base interactions energy: -511.214
where: short stacking energy: -232.959
Base-Backbone interact. energy: -2.262
local terms energy: -235.034680
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -49.090
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -63.598
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: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -706.528039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.528039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.528039 (E_RNA)
where:
Base-Base interactions energy: -466.317
where: short stacking energy: -209.454
Base-Backbone interact. energy: -1.282
local terms energy: -238.928939
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -42.862
flat angles C4'-P-C4' energy: -54.424
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -51.164
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: 368
Temperature: 1.150000
Total energy: -682.424564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.424564 (E_RNA)
where:
Base-Base interactions energy: -453.216
where: short stacking energy: -207.119
Base-Backbone interact. energy: -2.805
local terms energy: -226.403655
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -607.615592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.615592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.615592 (E_RNA)
where:
Base-Base interactions energy: -391.405
where: short stacking energy: -182.889
Base-Backbone interact. energy: -1.107
local terms energy: -215.103770
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -50.820
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -42.219
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -573.569091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.569091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.569091 (E_RNA)
where:
Base-Base interactions energy: -362.158
where: short stacking energy: -182.314
Base-Backbone interact. energy: 0.392
local terms energy: -211.802886
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -44.980
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -46.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -314.719202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.719202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.719202 (E_RNA)
where:
Base-Base interactions energy: -169.642
where: short stacking energy: -105.770
Base-Backbone interact. energy: -2.923
local terms energy: -142.153644
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -39.978
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -282.868516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.868516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.868516 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -69.015
Base-Backbone interact. energy: -1.264
local terms energy: -149.617456
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -907.122420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.122420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.122420 (E_RNA)
where:
Base-Base interactions energy: -613.590
where: short stacking energy: -272.909
Base-Backbone interact. energy: -0.697
local terms energy: -292.835310
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -51.306
flat angles C4'-P-C4' energy: -63.424
flat angles P-C4'-P energy: -42.883
tors. eta vs tors. theta energy: -81.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -900.233300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.233300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.233300 (E_RNA)
where:
Base-Base interactions energy: -641.025
where: short stacking energy: -238.959
Base-Backbone interact. energy: -0.626
local terms energy: -258.581754
where:
bonds (distance) C4'-P energy: -41.001
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -54.967
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -69.701
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -858.890739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.890739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.890739 (E_RNA)
where:
Base-Base interactions energy: -586.448
where: short stacking energy: -265.803
Base-Backbone interact. energy: -0.829
local terms energy: -271.613566
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -74.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -749.160243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.160243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.160243 (E_RNA)
where:
Base-Base interactions energy: -495.752
where: short stacking energy: -228.240
Base-Backbone interact. energy: -1.571
local terms energy: -251.837268
where:
bonds (distance) C4'-P energy: -41.253
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -58.608
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -61.537
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: 369
Temperature: 1.100000
Total energy: -708.538794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.538794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.538794 (E_RNA)
where:
Base-Base interactions energy: -474.344
where: short stacking energy: -213.737
Base-Backbone interact. energy: -1.154
local terms energy: -233.040458
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -33.937
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: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -644.280842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.280842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.280842 (E_RNA)
where:
Base-Base interactions energy: -417.401
where: short stacking energy: -179.084
Base-Backbone interact. energy: 0.592
local terms energy: -227.472602
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -54.011
flat angles C4'-P-C4' energy: -55.062
flat angles P-C4'-P energy: -28.443
tors. eta vs tors. theta energy: -40.718
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -589.850833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.850833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.850833 (E_RNA)
where:
Base-Base interactions energy: -367.015
where: short stacking energy: -158.733
Base-Backbone interact. energy: -2.049
local terms energy: -220.786683
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -56.361
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -32.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -581.769955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.769955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.769955 (E_RNA)
where:
Base-Base interactions energy: -362.922
where: short stacking energy: -163.920
Base-Backbone interact. energy: -0.999
local terms energy: -217.849785
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -53.780
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -37.998
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: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -251.415079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.415079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.415079 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -73.503
Base-Backbone interact. energy: -1.821
local terms energy: -131.305244
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -47.273
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: 8.321
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: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -278.662190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.662190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.662190 (E_RNA)
where:
Base-Base interactions energy: -127.390
where: short stacking energy: -76.237
Base-Backbone interact. energy: 0.230
local terms energy: -151.502618
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -42.840
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -899.913743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.913743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.913743 (E_RNA)
where:
Base-Base interactions energy: -614.552
where: short stacking energy: -268.249
Base-Backbone interact. energy: -1.296
local terms energy: -284.065992
where:
bonds (distance) C4'-P energy: -52.622
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -79.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -888.961160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.961160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.961160 (E_RNA)
where:
Base-Base interactions energy: -611.866
where: short stacking energy: -242.939
Base-Backbone interact. energy: -0.783
local terms energy: -276.312954
where:
bonds (distance) C4'-P energy: -52.460
bonds (distance) P-C4' energy: -55.176
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -73.475
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -854.643195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.643195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.643195 (E_RNA)
where:
Base-Base interactions energy: -588.856
where: short stacking energy: -267.122
Base-Backbone interact. energy: -1.767
local terms energy: -264.019694
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -50.379
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -75.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -757.137783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.137783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.137783 (E_RNA)
where:
Base-Base interactions energy: -507.304
where: short stacking energy: -227.254
Base-Backbone interact. energy: -0.799
local terms energy: -249.035022
where:
bonds (distance) C4'-P energy: -48.175
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -39.129
tors. eta vs tors. theta energy: -61.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -694.706089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.706089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.706089 (E_RNA)
where:
Base-Base interactions energy: -453.813
where: short stacking energy: -199.705
Base-Backbone interact. energy: -0.857
local terms energy: -240.035932
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -55.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -654.012677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.012677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.012677 (E_RNA)
where:
Base-Base interactions energy: -440.301
where: short stacking energy: -183.495
Base-Backbone interact. energy: -0.831
local terms energy: -212.880184
where:
bonds (distance) C4'-P energy: -46.942
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -53.141
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -39.966
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: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -547.601215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.601215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.601215 (E_RNA)
where:
Base-Base interactions energy: -346.130
where: short stacking energy: -171.448
Base-Backbone interact. energy: -0.436
local terms energy: -201.034568
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -48.479
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -40.671
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: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -578.673759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.673759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.673759 (E_RNA)
where:
Base-Base interactions energy: -350.893
where: short stacking energy: -159.783
Base-Backbone interact. energy: -1.603
local terms energy: -226.177461
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -50.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -271.052398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.052398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.052398 (E_RNA)
where:
Base-Base interactions energy: -124.323
where: short stacking energy: -77.111
Base-Backbone interact. energy: 0.523
local terms energy: -147.252810
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -41.929
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -263.689119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.689119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.689119 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -92.333
Base-Backbone interact. energy: 1.087
local terms energy: -149.984885
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -53.039
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -902.917158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.917158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.917158 (E_RNA)
where:
Base-Base interactions energy: -616.242
where: short stacking energy: -273.029
Base-Backbone interact. energy: -1.436
local terms energy: -285.239252
where:
bonds (distance) C4'-P energy: -44.156
bonds (distance) P-C4' energy: -54.059
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -79.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -872.667205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.667205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.667205 (E_RNA)
where:
Base-Base interactions energy: -604.257
where: short stacking energy: -253.584
Base-Backbone interact. energy: 0.228
local terms energy: -268.637780
where:
bonds (distance) C4'-P energy: -51.686
bonds (distance) P-C4' energy: -51.836
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -65.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -843.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.765716 (E_RNA)
where:
Base-Base interactions energy: -555.152
where: short stacking energy: -250.094
Base-Backbone interact. energy: -0.587
local terms energy: -288.026787
where:
bonds (distance) C4'-P energy: -50.534
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -60.934
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -78.744
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: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -776.941113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.941113 (E_RNA)
where:
Base-Base interactions energy: -540.306
where: short stacking energy: -231.983
Base-Backbone interact. energy: -0.010
local terms energy: -236.625213
where:
bonds (distance) C4'-P energy: -45.665
bonds (distance) P-C4' energy: -37.761
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -53.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -695.320826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.320826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.320826 (E_RNA)
where:
Base-Base interactions energy: -459.835
where: short stacking energy: -211.200
Base-Backbone interact. energy: -0.168
local terms energy: -235.317881
where:
bonds (distance) C4'-P energy: -41.871
bonds (distance) P-C4' energy: -46.901
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -58.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -674.763571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.763571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.763571 (E_RNA)
where:
Base-Base interactions energy: -462.052
where: short stacking energy: -203.621
Base-Backbone interact. energy: -0.887
local terms energy: -211.824072
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -51.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -614.634893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.634893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.634893 (E_RNA)
where:
Base-Base interactions energy: -402.452
where: short stacking energy: -192.263
Base-Backbone interact. energy: 0.248
local terms energy: -212.430351
where:
bonds (distance) C4'-P energy: -53.452
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -39.209
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -51.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -566.094947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.094947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.094947 (E_RNA)
where:
Base-Base interactions energy: -366.311
where: short stacking energy: -164.626
Base-Backbone interact. energy: 0.269
local terms energy: -200.053510
where:
bonds (distance) C4'-P energy: -54.396
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -284.088194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.088194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.088194 (E_RNA)
where:
Base-Base interactions energy: -117.410
where: short stacking energy: -82.870
Base-Backbone interact. energy: -0.354
local terms energy: -166.324450
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: 3.999
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: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -231.448058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.448058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.448058 (E_RNA)
where:
Base-Base interactions energy: -86.000
where: short stacking energy: -71.088
Base-Backbone interact. energy: 1.798
local terms energy: -147.245404
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -51.021
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: 13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -892.844850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.844850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.844850 (E_RNA)
where:
Base-Base interactions energy: -611.745
where: short stacking energy: -266.803
Base-Backbone interact. energy: -0.592
local terms energy: -280.507532
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -55.077
flat angles P-C4'-P energy: -40.653
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: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -893.861374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.861374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.861374 (E_RNA)
where:
Base-Base interactions energy: -614.894
where: short stacking energy: -248.430
Base-Backbone interact. energy: -0.259
local terms energy: -278.708320
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -67.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -844.407556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.407556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.407556 (E_RNA)
where:
Base-Base interactions energy: -571.035
where: short stacking energy: -271.132
Base-Backbone interact. energy: 0.258
local terms energy: -273.630464
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -59.194
flat angles P-C4'-P energy: -37.780
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: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -741.405644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.405644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.405644 (E_RNA)
where:
Base-Base interactions energy: -489.129
where: short stacking energy: -212.967
Base-Backbone interact. energy: -1.349
local terms energy: -250.927793
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -58.227
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -56.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -724.755368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.755368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.755368 (E_RNA)
where:
Base-Base interactions energy: -482.464
where: short stacking energy: -222.400
Base-Backbone interact. energy: 0.318
local terms energy: -242.608798
where:
bonds (distance) C4'-P energy: -42.744
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -50.611
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: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -682.911182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.911182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.911182 (E_RNA)
where:
Base-Base interactions energy: -459.466
where: short stacking energy: -194.672
Base-Backbone interact. energy: 0.012
local terms energy: -223.457454
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -53.878
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -43.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -599.532741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.532741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.532741 (E_RNA)
where:
Base-Base interactions energy: -382.358
where: short stacking energy: -168.213
Base-Backbone interact. energy: -0.189
local terms energy: -216.986259
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -45.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -539.110119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.110119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.110119 (E_RNA)
where:
Base-Base interactions energy: -359.303
where: short stacking energy: -164.218
Base-Backbone interact. energy: -0.112
local terms energy: -179.695004
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -41.831
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -26.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -266.188109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.188109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.188109 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -67.993
Base-Backbone interact. energy: 0.513
local terms energy: -145.517086
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -35.746
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -225.729393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729393 (E_RNA)
where:
Base-Base interactions energy: -93.735
where: short stacking energy: -64.194
Base-Backbone interact. energy: -1.777
local terms energy: -130.217181
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -6.658
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: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -891.404645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.404645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.404645 (E_RNA)
where:
Base-Base interactions energy: -612.828
where: short stacking energy: -270.567
Base-Backbone interact. energy: -0.845
local terms energy: -277.732167
where:
bonds (distance) C4'-P energy: -44.954
bonds (distance) P-C4' energy: -59.277
flat angles C4'-P-C4' energy: -62.648
flat angles P-C4'-P energy: -36.326
tors. eta vs tors. theta energy: -74.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -900.648036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.648036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.648036 (E_RNA)
where:
Base-Base interactions energy: -634.753
where: short stacking energy: -252.856
Base-Backbone interact. energy: -0.195
local terms energy: -265.699471
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -853.981222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.981222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.981222 (E_RNA)
where:
Base-Base interactions energy: -586.336
where: short stacking energy: -254.761
Base-Backbone interact. energy: -0.628
local terms energy: -267.016707
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -77.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -780.818162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.818162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.818162 (E_RNA)
where:
Base-Base interactions energy: -528.026
where: short stacking energy: -233.052
Base-Backbone interact. energy: -0.325
local terms energy: -252.467962
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -66.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -728.222068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.222068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.222068 (E_RNA)
where:
Base-Base interactions energy: -471.950
where: short stacking energy: -211.958
Base-Backbone interact. energy: -0.970
local terms energy: -255.302788
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -53.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -674.272476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.272476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.272476 (E_RNA)
where:
Base-Base interactions energy: -447.104
where: short stacking energy: -174.661
Base-Backbone interact. energy: 4.236
local terms energy: -231.404891
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -51.896
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -41.680
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: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -614.729996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.729996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.729996 (E_RNA)
where:
Base-Base interactions energy: -403.702
where: short stacking energy: -200.636
Base-Backbone interact. energy: 0.868
local terms energy: -211.895698
where:
bonds (distance) C4'-P energy: -42.627
bonds (distance) P-C4' energy: -37.176
flat angles C4'-P-C4' energy: -44.767
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -56.466
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: 373
Temperature: 1.250000
Total energy: -594.978459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.978459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.978459 (E_RNA)
where:
Base-Base interactions energy: -381.629
where: short stacking energy: -177.667
Base-Backbone interact. energy: -1.488
local terms energy: -211.861676
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -51.799
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -45.020
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: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -258.137910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.137910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.137910 (E_RNA)
where:
Base-Base interactions energy: -95.617
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.154
local terms energy: -162.366489
where:
bonds (distance) C4'-P energy: -43.077
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -7.959
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: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -238.228966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.228966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.228966 (E_RNA)
where:
Base-Base interactions energy: -95.895
where: short stacking energy: -59.406
Base-Backbone interact. energy: -1.545
local terms energy: -140.789513
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: 4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -901.859117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.859117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.859117 (E_RNA)
where:
Base-Base interactions energy: -611.264
where: short stacking energy: -275.548
Base-Backbone interact. energy: -0.354
local terms energy: -290.241295
where:
bonds (distance) C4'-P energy: -65.205
bonds (distance) P-C4' energy: -49.342
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -70.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -893.767663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.767663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.767663 (E_RNA)
where:
Base-Base interactions energy: -621.574
where: short stacking energy: -253.426
Base-Backbone interact. energy: 1.159
local terms energy: -273.352901
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -72.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -863.320526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.320526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.320526 (E_RNA)
where:
Base-Base interactions energy: -598.829
where: short stacking energy: -274.828
Base-Backbone interact. energy: -0.195
local terms energy: -264.297101
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -795.184925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.184925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.184925 (E_RNA)
where:
Base-Base interactions energy: -544.600
where: short stacking energy: -245.718
Base-Backbone interact. energy: -0.591
local terms energy: -249.994447
where:
bonds (distance) C4'-P energy: -42.846
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -69.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -730.486050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.486050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.486050 (E_RNA)
where:
Base-Base interactions energy: -496.725
where: short stacking energy: -202.669
Base-Backbone interact. energy: -1.705
local terms energy: -232.055392
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -50.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -671.731322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.731322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.731322 (E_RNA)
where:
Base-Base interactions energy: -434.793
where: short stacking energy: -206.889
Base-Backbone interact. energy: -0.686
local terms energy: -236.252973
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -49.708
flat angles P-C4'-P energy: -33.192
tors. eta vs tors. theta energy: -54.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -606.927350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.927350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.927350 (E_RNA)
where:
Base-Base interactions energy: -399.977
where: short stacking energy: -186.401
Base-Backbone interact. energy: -0.823
local terms energy: -206.128126
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -50.306
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -45.538
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: 374
Temperature: 1.250000
Total energy: -571.797140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.797140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.797140 (E_RNA)
where:
Base-Base interactions energy: -366.419
where: short stacking energy: -163.960
Base-Backbone interact. energy: 0.157
local terms energy: -205.534492
where:
bonds (distance) C4'-P energy: -44.873
bonds (distance) P-C4' energy: -45.984
flat angles C4'-P-C4' energy: -44.923
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -39.748
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -237.379761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.379761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.379761 (E_RNA)
where:
Base-Base interactions energy: -99.609
where: short stacking energy: -70.197
Base-Backbone interact. energy: -1.606
local terms energy: -136.165182
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -39.090
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: 6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -232.514871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.514871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.514871 (E_RNA)
where:
Base-Base interactions energy: -85.519
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.473
local terms energy: -146.522742
where:
bonds (distance) C4'-P energy: -40.183
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: 13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -878.898259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.898259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.898259 (E_RNA)
where:
Base-Base interactions energy: -597.093
where: short stacking energy: -256.783
Base-Backbone interact. energy: -1.379
local terms energy: -280.426277
where:
bonds (distance) C4'-P energy: -45.740
bonds (distance) P-C4' energy: -53.440
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -885.348709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.348709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.348709 (E_RNA)
where:
Base-Base interactions energy: -622.504
where: short stacking energy: -260.595
Base-Backbone interact. energy: 1.610
local terms energy: -264.455388
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -54.740
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -74.201
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: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -792.665398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.665398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.665398 (E_RNA)
where:
Base-Base interactions energy: -529.073
where: short stacking energy: -257.584
Base-Backbone interact. energy: 0.563
local terms energy: -264.155671
where:
bonds (distance) C4'-P energy: -49.906
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -51.162
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -72.191
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -772.970212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.970212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.970212 (E_RNA)
where:
Base-Base interactions energy: -519.939
where: short stacking energy: -224.992
Base-Backbone interact. energy: 0.210
local terms energy: -253.241293
where:
bonds (distance) C4'-P energy: -50.055
bonds (distance) P-C4' energy: -50.487
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -26.102
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: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -740.758172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.758172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.758172 (E_RNA)
where:
Base-Base interactions energy: -496.093
where: short stacking energy: -216.859
Base-Backbone interact. energy: -2.090
local terms energy: -242.574588
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -43.336
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -64.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -667.118732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.118732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.118732 (E_RNA)
where:
Base-Base interactions energy: -427.630
where: short stacking energy: -184.198
Base-Backbone interact. energy: -1.420
local terms energy: -238.069068
where:
bonds (distance) C4'-P energy: -51.082
bonds (distance) P-C4' energy: -55.927
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -46.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -600.078563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.078563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.078563 (E_RNA)
where:
Base-Base interactions energy: -394.687
where: short stacking energy: -177.428
Base-Backbone interact. energy: -1.123
local terms energy: -204.268499
where:
bonds (distance) C4'-P energy: -48.263
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -46.001
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -38.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -550.573943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.573943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.573943 (E_RNA)
where:
Base-Base interactions energy: -360.740
where: short stacking energy: -171.731
Base-Backbone interact. energy: -1.085
local terms energy: -188.748882
where:
bonds (distance) C4'-P energy: -42.510
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -49.409
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -34.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -243.451370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.451370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.451370 (E_RNA)
where:
Base-Base interactions energy: -91.847
where: short stacking energy: -77.768
Base-Backbone interact. energy: -1.029
local terms energy: -150.575350
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -40.398
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -0.357
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: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -236.636207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.636207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.636207 (E_RNA)
where:
Base-Base interactions energy: -108.429
where: short stacking energy: -70.715
Base-Backbone interact. energy: 3.308
local terms energy: -131.515618
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -50.699
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: 9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -895.872786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.872786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.872786 (E_RNA)
where:
Base-Base interactions energy: -615.386
where: short stacking energy: -254.799
Base-Backbone interact. energy: 0.519
local terms energy: -281.005955
where:
bonds (distance) C4'-P energy: -58.263
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -62.925
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -70.041
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: 376
Temperature: 0.950000
Total energy: -875.008445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.008445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.008445 (E_RNA)
where:
Base-Base interactions energy: -606.210
where: short stacking energy: -270.640
Base-Backbone interact. energy: 1.121
local terms energy: -269.919341
where:
bonds (distance) C4'-P energy: -43.144
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -76.951
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: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -802.798884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.798884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.798884 (E_RNA)
where:
Base-Base interactions energy: -524.559
where: short stacking energy: -248.999
Base-Backbone interact. energy: 0.168
local terms energy: -278.407542
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -56.127
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -45.234
tors. eta vs tors. theta energy: -73.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -749.716198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.716198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.716198 (E_RNA)
where:
Base-Base interactions energy: -507.390
where: short stacking energy: -231.955
Base-Backbone interact. energy: -1.340
local terms energy: -240.986654
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -56.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -747.867126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.867126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.867126 (E_RNA)
where:
Base-Base interactions energy: -490.739
where: short stacking energy: -225.778
Base-Backbone interact. energy: 0.086
local terms energy: -257.214008
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -48.470
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -36.200
tors. eta vs tors. theta energy: -66.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -680.201748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.201748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.201748 (E_RNA)
where:
Base-Base interactions energy: -442.545
where: short stacking energy: -200.677
Base-Backbone interact. energy: -0.525
local terms energy: -237.131532
where:
bonds (distance) C4'-P energy: -46.267
bonds (distance) P-C4' energy: -58.000
flat angles C4'-P-C4' energy: -54.143
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -609.025827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.025827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.025827 (E_RNA)
where:
Base-Base interactions energy: -395.505
where: short stacking energy: -193.230
Base-Backbone interact. energy: 0.092
local terms energy: -213.613508
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -50.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -540.491272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.491272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.491272 (E_RNA)
where:
Base-Base interactions energy: -324.607
where: short stacking energy: -141.868
Base-Backbone interact. energy: -1.057
local terms energy: -214.827595
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -27.776
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -226.754566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.754566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.754566 (E_RNA)
where:
Base-Base interactions energy: -75.664
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.974
local terms energy: -150.116587
where:
bonds (distance) C4'-P energy: -40.180
bonds (distance) P-C4' energy: -50.819
flat angles C4'-P-C4' energy: -43.790
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: 13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -233.671599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.671599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.671599 (E_RNA)
where:
Base-Base interactions energy: -93.048
where: short stacking energy: -81.795
Base-Backbone interact. energy: -0.693
local terms energy: -139.930666
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -45.938
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -5.828
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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -884.995049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.995049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.995049 (E_RNA)
where:
Base-Base interactions energy: -621.243
where: short stacking energy: -260.428
Base-Backbone interact. energy: -0.642
local terms energy: -263.110463
where:
bonds (distance) C4'-P energy: -51.910
bonds (distance) P-C4' energy: -42.276
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -70.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -887.115075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.115075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.115075 (E_RNA)
where:
Base-Base interactions energy: -597.759
where: short stacking energy: -276.668
Base-Backbone interact. energy: 0.829
local terms energy: -290.184858
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -48.390
tors. eta vs tors. theta energy: -73.815
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: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -836.451960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.451960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.451960 (E_RNA)
where:
Base-Base interactions energy: -565.375
where: short stacking energy: -269.367
Base-Backbone interact. energy: -1.640
local terms energy: -269.437093
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -47.327
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -32.380
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -760.234947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.234947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.234947 (E_RNA)
where:
Base-Base interactions energy: -504.998
where: short stacking energy: -229.593
Base-Backbone interact. energy: -0.990
local terms energy: -254.246372
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -48.883
flat angles C4'-P-C4' energy: -60.107
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -67.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -710.768238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.768238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.768238 (E_RNA)
where:
Base-Base interactions energy: -459.504
where: short stacking energy: -202.663
Base-Backbone interact. energy: -1.265
local terms energy: -249.999262
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -58.801
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: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -659.240317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.240317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.240317 (E_RNA)
where:
Base-Base interactions energy: -434.434
where: short stacking energy: -198.661
Base-Backbone interact. energy: -0.202
local terms energy: -224.603890
where:
bonds (distance) C4'-P energy: -46.501
bonds (distance) P-C4' energy: -53.117
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -614.073000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.073000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.073000 (E_RNA)
where:
Base-Base interactions energy: -391.315
where: short stacking energy: -182.763
Base-Backbone interact. energy: -0.867
local terms energy: -221.891229
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -42.707
flat angles P-C4'-P energy: -39.120
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -586.930014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.930014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.930014 (E_RNA)
where:
Base-Base interactions energy: -385.803
where: short stacking energy: -166.667
Base-Backbone interact. energy: -0.171
local terms energy: -200.956357
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -45.937
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -40.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -253.450511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.450511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.450511 (E_RNA)
where:
Base-Base interactions energy: -102.479
where: short stacking energy: -81.886
Base-Backbone interact. energy: 4.842
local terms energy: -155.813747
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: 2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -225.326822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326822 (E_RNA)
where:
Base-Base interactions energy: -71.903
where: short stacking energy: -61.108
Base-Backbone interact. energy: -2.388
local terms energy: -151.035560
where:
bonds (distance) C4'-P energy: -41.144
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: 2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -901.956325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.956325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.956325 (E_RNA)
where:
Base-Base interactions energy: -622.583
where: short stacking energy: -262.082
Base-Backbone interact. energy: -0.442
local terms energy: -278.931498
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -61.345
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -70.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -873.038682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.038682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.038682 (E_RNA)
where:
Base-Base interactions energy: -608.924
where: short stacking energy: -259.777
Base-Backbone interact. energy: -1.223
local terms energy: -262.891345
where:
bonds (distance) C4'-P energy: -45.459
bonds (distance) P-C4' energy: -47.572
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -72.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -859.403666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.403666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.403666 (E_RNA)
where:
Base-Base interactions energy: -594.622
where: short stacking energy: -260.518
Base-Backbone interact. energy: 0.135
local terms energy: -264.917132
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -53.259
flat angles P-C4'-P energy: -33.989
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -780.471964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.471964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.471964 (E_RNA)
where:
Base-Base interactions energy: -542.888
where: short stacking energy: -232.038
Base-Backbone interact. energy: -0.626
local terms energy: -236.958256
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: -55.013
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -667.912968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.912968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.912968 (E_RNA)
where:
Base-Base interactions energy: -436.103
where: short stacking energy: -201.422
Base-Backbone interact. energy: -1.069
local terms energy: -230.741046
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -50.662
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -48.933
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: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -716.210536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.210536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.210536 (E_RNA)
where:
Base-Base interactions energy: -470.622
where: short stacking energy: -205.046
Base-Backbone interact. energy: -0.985
local terms energy: -244.603321
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -37.237
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -60.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -606.029147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.029147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.029147 (E_RNA)
where:
Base-Base interactions energy: -389.662
where: short stacking energy: -181.338
Base-Backbone interact. energy: 1.775
local terms energy: -218.142637
where:
bonds (distance) C4'-P energy: -37.644
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -50.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -591.085998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.085998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.085998 (E_RNA)
where:
Base-Base interactions energy: -388.481
where: short stacking energy: -165.359
Base-Backbone interact. energy: -0.574
local terms energy: -202.030534
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -43.413
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -241.297559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.297559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.297559 (E_RNA)
where:
Base-Base interactions energy: -78.958
where: short stacking energy: -74.260
Base-Backbone interact. energy: -1.818
local terms energy: -160.521370
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -10.286
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: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -221.275762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.275762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275762 (E_RNA)
where:
Base-Base interactions energy: -89.856
where: short stacking energy: -60.758
Base-Backbone interact. energy: -1.381
local terms energy: -130.038726
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: 8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -908.107750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.107750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.107750 (E_RNA)
where:
Base-Base interactions energy: -622.064
where: short stacking energy: -265.438
Base-Backbone interact. energy: -0.808
local terms energy: -285.235540
where:
bonds (distance) C4'-P energy: -60.518
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -43.971
tors. eta vs tors. theta energy: -74.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -879.673065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.673065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.673065 (E_RNA)
where:
Base-Base interactions energy: -605.002
where: short stacking energy: -293.092
Base-Backbone interact. energy: -0.074
local terms energy: -274.597447
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -44.075
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: -83.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -857.895489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.895489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.895489 (E_RNA)
where:
Base-Base interactions energy: -600.295
where: short stacking energy: -252.442
Base-Backbone interact. energy: -0.879
local terms energy: -256.720799
where:
bonds (distance) C4'-P energy: -53.901
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -58.488
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -65.912
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: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -789.199070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.199070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.199070 (E_RNA)
where:
Base-Base interactions energy: -539.034
where: short stacking energy: -240.233
Base-Backbone interact. energy: -2.065
local terms energy: -248.099733
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -65.979
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: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -686.692022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.692022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.692022 (E_RNA)
where:
Base-Base interactions energy: -450.625
where: short stacking energy: -193.998
Base-Backbone interact. energy: 0.097
local terms energy: -236.164034
where:
bonds (distance) C4'-P energy: -44.707
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -48.347
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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -710.113918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.113918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.113918 (E_RNA)
where:
Base-Base interactions energy: -467.407
where: short stacking energy: -217.232
Base-Backbone interact. energy: 0.773
local terms energy: -243.480291
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -53.504
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -54.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -637.415863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.415863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.415863 (E_RNA)
where:
Base-Base interactions energy: -413.414
where: short stacking energy: -187.472
Base-Backbone interact. energy: -1.185
local terms energy: -222.816885
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -55.642
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -540.274978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.274978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.274978 (E_RNA)
where:
Base-Base interactions energy: -346.403
where: short stacking energy: -162.483
Base-Backbone interact. energy: -0.263
local terms energy: -193.608350
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -46.859
flat angles C4'-P-C4' energy: -40.937
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -248.220237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.220237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.220237 (E_RNA)
where:
Base-Base interactions energy: -100.878
where: short stacking energy: -89.020
Base-Backbone interact. energy: -0.704
local terms energy: -146.638563
where:
bonds (distance) C4'-P energy: -43.981
bonds (distance) P-C4' energy: -40.997
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -233.290733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.290733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.290733 (E_RNA)
where:
Base-Base interactions energy: -96.039
where: short stacking energy: -69.659
Base-Backbone interact. energy: 0.112
local terms energy: -137.363856
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: 1.376
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -885.644837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.644837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.644837 (E_RNA)
where:
Base-Base interactions energy: -596.849
where: short stacking energy: -260.691
Base-Backbone interact. energy: -0.816
local terms energy: -287.979974
where:
bonds (distance) C4'-P energy: -54.214
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -43.374
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: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -892.987160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.987160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.987160 (E_RNA)
where:
Base-Base interactions energy: -622.053
where: short stacking energy: -260.943
Base-Backbone interact. energy: -0.872
local terms energy: -270.061327
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -74.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -867.390630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.390630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.390630 (E_RNA)
where:
Base-Base interactions energy: -591.100
where: short stacking energy: -261.911
Base-Backbone interact. energy: -0.490
local terms energy: -275.800308
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -72.692
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -786.704734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.704734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.704734 (E_RNA)
where:
Base-Base interactions energy: -525.007
where: short stacking energy: -229.981
Base-Backbone interact. energy: -1.631
local terms energy: -260.066716
where:
bonds (distance) C4'-P energy: -56.092
bonds (distance) P-C4' energy: -44.884
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -63.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -701.447521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.447521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.447521 (E_RNA)
where:
Base-Base interactions energy: -468.385
where: short stacking energy: -206.661
Base-Backbone interact. energy: -1.330
local terms energy: -231.732558
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -46.801
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -54.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -690.026280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.026280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.026280 (E_RNA)
where:
Base-Base interactions energy: -461.483
where: short stacking energy: -201.607
Base-Backbone interact. energy: -1.270
local terms energy: -227.273100
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -51.667
flat angles P-C4'-P energy: -31.114
tors. eta vs tors. theta energy: -51.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -607.652625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.652625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.652625 (E_RNA)
where:
Base-Base interactions energy: -403.086
where: short stacking energy: -188.265
Base-Backbone interact. energy: 0.744
local terms energy: -205.310792
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -540.539513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.539513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.539513 (E_RNA)
where:
Base-Base interactions energy: -351.955
where: short stacking energy: -168.551
Base-Backbone interact. energy: 1.493
local terms energy: -190.077052
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -46.706
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -267.534807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.534807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.534807 (E_RNA)
where:
Base-Base interactions energy: -93.626
where: short stacking energy: -79.698
Base-Backbone interact. energy: -0.529
local terms energy: -173.380402
where:
bonds (distance) C4'-P energy: -42.878
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -39.821
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -236.207058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.207058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.207058 (E_RNA)
where:
Base-Base interactions energy: -64.370
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.525
local terms energy: -171.312539
where:
bonds (distance) C4'-P energy: -50.440
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -45.627
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -878.140796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.140796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.140796 (E_RNA)
where:
Base-Base interactions energy: -603.084
where: short stacking energy: -266.454
Base-Backbone interact. energy: -0.634
local terms energy: -274.422882
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -60.448
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -73.643
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: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -895.004568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.004568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.004568 (E_RNA)
where:
Base-Base interactions energy: -613.176
where: short stacking energy: -258.618
Base-Backbone interact. energy: 0.393
local terms energy: -282.221557
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -52.963
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -74.519
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: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -873.270579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.270579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.270579 (E_RNA)
where:
Base-Base interactions energy: -610.612
where: short stacking energy: -274.195
Base-Backbone interact. energy: -0.352
local terms energy: -262.307082
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -48.032
flat angles C4'-P-C4' energy: -60.105
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -79.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -760.906762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.906762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.906762 (E_RNA)
where:
Base-Base interactions energy: -507.082
where: short stacking energy: -231.997
Base-Backbone interact. energy: 1.300
local terms energy: -255.124814
where:
bonds (distance) C4'-P energy: -49.564
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -55.871
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -60.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -707.040669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.040669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.040669 (E_RNA)
where:
Base-Base interactions energy: -468.265
where: short stacking energy: -203.804
Base-Backbone interact. energy: 2.777
local terms energy: -241.553183
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -52.612
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -53.510
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: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -725.632891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.632891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.632891 (E_RNA)
where:
Base-Base interactions energy: -481.651
where: short stacking energy: -205.806
Base-Backbone interact. energy: 0.941
local terms energy: -244.923259
where:
bonds (distance) C4'-P energy: -56.713
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -46.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -611.534863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.534863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.534863 (E_RNA)
where:
Base-Base interactions energy: -378.497
where: short stacking energy: -161.274
Base-Backbone interact. energy: -1.928
local terms energy: -231.110026
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -55.280
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -538.905323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.905323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.905323 (E_RNA)
where:
Base-Base interactions energy: -351.092
where: short stacking energy: -132.848
Base-Backbone interact. energy: -0.650
local terms energy: -187.163830
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -43.708
flat angles C4'-P-C4' energy: -46.634
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -279.781574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.781574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.781574 (E_RNA)
where:
Base-Base interactions energy: -122.962
where: short stacking energy: -79.097
Base-Backbone interact. energy: 0.363
local terms energy: -157.182244
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -52.474
flat angles C4'-P-C4' energy: -39.741
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -3.843
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -229.911063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911063 (E_RNA)
where:
Base-Base interactions energy: -79.627
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.886
local terms energy: -149.397930
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: 9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -911.422627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.422627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.422627 (E_RNA)
where:
Base-Base interactions energy: -622.882
where: short stacking energy: -287.134
Base-Backbone interact. energy: -0.197
local terms energy: -288.343229
where:
bonds (distance) C4'-P energy: -47.094
bonds (distance) P-C4' energy: -55.302
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -84.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -884.040350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.040350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.040350 (E_RNA)
where:
Base-Base interactions energy: -617.069
where: short stacking energy: -252.618
Base-Backbone interact. energy: -0.906
local terms energy: -266.065868
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -49.636
flat angles C4'-P-C4' energy: -60.203
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -67.246
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: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -863.272562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.272562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.272562 (E_RNA)
where:
Base-Base interactions energy: -595.035
where: short stacking energy: -254.284
Base-Backbone interact. energy: 0.320
local terms energy: -268.557258
where:
bonds (distance) C4'-P energy: -45.606
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: -75.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -761.869221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.869221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.869221 (E_RNA)
where:
Base-Base interactions energy: -515.075
where: short stacking energy: -232.701
Base-Backbone interact. energy: -1.226
local terms energy: -245.568687
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -47.232
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -63.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -734.428888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.428888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.428888 (E_RNA)
where:
Base-Base interactions energy: -479.796
where: short stacking energy: -215.498
Base-Backbone interact. energy: -1.566
local terms energy: -253.066561
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -62.651
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -54.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -645.150700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.150700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.150700 (E_RNA)
where:
Base-Base interactions energy: -432.861
where: short stacking energy: -189.527
Base-Backbone interact. energy: -0.866
local terms energy: -211.423173
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -37.524
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -619.978579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.978579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.978579 (E_RNA)
where:
Base-Base interactions energy: -406.648
where: short stacking energy: -179.327
Base-Backbone interact. energy: 0.164
local terms energy: -213.494292
where:
bonds (distance) C4'-P energy: -41.786
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -50.720
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -39.888
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -523.780379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.780379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.780379 (E_RNA)
where:
Base-Base interactions energy: -328.272
where: short stacking energy: -151.183
Base-Backbone interact. energy: -0.942
local terms energy: -194.566547
where:
bonds (distance) C4'-P energy: -42.707
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -23.158
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -234.802389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.802389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.802389 (E_RNA)
where:
Base-Base interactions energy: -83.758
where: short stacking energy: -50.528
Base-Backbone interact. energy: -0.977
local terms energy: -150.067475
where:
bonds (distance) C4'-P energy: -43.974
bonds (distance) P-C4' energy: -50.658
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -220.297560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297560 (E_RNA)
where:
Base-Base interactions energy: -58.260
where: short stacking energy: -50.739
Base-Backbone interact. energy: -1.207
local terms energy: -160.830643
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -45.185
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: 5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -900.083096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.083096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.083096 (E_RNA)
where:
Base-Base interactions energy: -616.856
where: short stacking energy: -284.670
Base-Backbone interact. energy: -0.034
local terms energy: -283.192646
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -46.017
flat angles C4'-P-C4' energy: -61.521
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -83.566
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -883.003718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.003718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.003718 (E_RNA)
where:
Base-Base interactions energy: -594.359
where: short stacking energy: -257.274
Base-Backbone interact. energy: 0.008
local terms energy: -288.652132
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -63.617
flat angles P-C4'-P energy: -40.057
tors. eta vs tors. theta energy: -79.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -878.778391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.778391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.778391 (E_RNA)
where:
Base-Base interactions energy: -618.389
where: short stacking energy: -250.282
Base-Backbone interact. energy: 0.394
local terms energy: -260.783689
where:
bonds (distance) C4'-P energy: -48.998
bonds (distance) P-C4' energy: -44.528
flat angles C4'-P-C4' energy: -54.524
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -72.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -763.144323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.144323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.144323 (E_RNA)
where:
Base-Base interactions energy: -519.089
where: short stacking energy: -240.268
Base-Backbone interact. energy: -0.330
local terms energy: -243.725102
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -48.470
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -32.749
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: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -716.354959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.354959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.354959 (E_RNA)
where:
Base-Base interactions energy: -482.743
where: short stacking energy: -215.360
Base-Backbone interact. energy: 0.554
local terms energy: -234.165727
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -53.191
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -671.735526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.735526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.735526 (E_RNA)
where:
Base-Base interactions energy: -440.665
where: short stacking energy: -182.783
Base-Backbone interact. energy: -0.837
local terms energy: -230.233640
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -49.408
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -43.228
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: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -599.065547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.065547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.065547 (E_RNA)
where:
Base-Base interactions energy: -375.004
where: short stacking energy: -178.978
Base-Backbone interact. energy: 0.293
local terms energy: -224.354430
where:
bonds (distance) C4'-P energy: -43.253
bonds (distance) P-C4' energy: -56.882
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -560.116263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.116263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.116263 (E_RNA)
where:
Base-Base interactions energy: -378.639
where: short stacking energy: -161.665
Base-Backbone interact. energy: -2.091
local terms energy: -179.385802
where:
bonds (distance) C4'-P energy: -47.825
bonds (distance) P-C4' energy: -42.187
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -232.309702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.309702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.309702 (E_RNA)
where:
Base-Base interactions energy: -96.452
where: short stacking energy: -88.154
Base-Backbone interact. energy: 3.409
local terms energy: -139.266020
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -2.235
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -233.312728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.312728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.312728 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -70.838
Base-Backbone interact. energy: 0.406
local terms energy: -126.478802
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -45.893
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: 9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -919.867411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.867411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.867411 (E_RNA)
where:
Base-Base interactions energy: -628.089
where: short stacking energy: -273.067
Base-Backbone interact. energy: -1.970
local terms energy: -289.808317
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -50.349
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -44.228
tors. eta vs tors. theta energy: -81.372
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: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -897.783125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.783125 (E_RNA)
where:
Base-Base interactions energy: -613.059
where: short stacking energy: -279.958
Base-Backbone interact. energy: 1.142
local terms energy: -285.865966
where:
bonds (distance) C4'-P energy: -51.223
bonds (distance) P-C4' energy: -52.474
flat angles C4'-P-C4' energy: -61.319
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -77.048
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: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -864.462940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.462940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.462940 (E_RNA)
where:
Base-Base interactions energy: -604.225
where: short stacking energy: -257.253
Base-Backbone interact. energy: -0.839
local terms energy: -259.398550
where:
bonds (distance) C4'-P energy: -51.134
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -56.518
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -70.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -762.264920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.264920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.264920 (E_RNA)
where:
Base-Base interactions energy: -510.933
where: short stacking energy: -231.179
Base-Backbone interact. energy: 1.649
local terms energy: -252.980944
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -66.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -728.319219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.319219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.319219 (E_RNA)
where:
Base-Base interactions energy: -484.287
where: short stacking energy: -217.221
Base-Backbone interact. energy: -0.911
local terms energy: -243.121293
where:
bonds (distance) C4'-P energy: -42.689
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -32.403
tors. eta vs tors. theta energy: -61.550
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: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -663.386813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.386813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.386813 (E_RNA)
where:
Base-Base interactions energy: -445.612
where: short stacking energy: -197.691
Base-Backbone interact. energy: 0.504
local terms energy: -218.278639
where:
bonds (distance) C4'-P energy: -41.614
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -47.195
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -52.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -602.803034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.803034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.803034 (E_RNA)
where:
Base-Base interactions energy: -384.197
where: short stacking energy: -168.008
Base-Backbone interact. energy: 0.613
local terms energy: -219.219613
where:
bonds (distance) C4'-P energy: -52.811
bonds (distance) P-C4' energy: -51.916
flat angles C4'-P-C4' energy: -49.008
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -42.599
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: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -590.848847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.848847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.848847 (E_RNA)
where:
Base-Base interactions energy: -393.935
where: short stacking energy: -178.997
Base-Backbone interact. energy: -0.656
local terms energy: -196.258377
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -37.541
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -259.087547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.087547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.087547 (E_RNA)
where:
Base-Base interactions energy: -122.757
where: short stacking energy: -81.629
Base-Backbone interact. energy: 0.490
local terms energy: -136.821120
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -52.361
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: 2.671
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -227.807897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.807897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.807897 (E_RNA)
where:
Base-Base interactions energy: -67.402
where: short stacking energy: -61.543
Base-Backbone interact. energy: -1.486
local terms energy: -158.919466
where:
bonds (distance) C4'-P energy: -53.312
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -41.527
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: 6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -922.993028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.993028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.993028 (E_RNA)
where:
Base-Base interactions energy: -639.253
where: short stacking energy: -282.021
Base-Backbone interact. energy: -1.267
local terms energy: -282.472423
where:
bonds (distance) C4'-P energy: -53.745
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -82.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -848.691576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.691576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.691576 (E_RNA)
where:
Base-Base interactions energy: -579.790
where: short stacking energy: -250.673
Base-Backbone interact. energy: -0.845
local terms energy: -268.056678
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -57.901
flat angles P-C4'-P energy: -36.740
tors. eta vs tors. theta energy: -71.894
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: 385
Temperature: 1.000000
Total energy: -856.177937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.177937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.177937 (E_RNA)
where:
Base-Base interactions energy: -586.916
where: short stacking energy: -253.085
Base-Backbone interact. energy: -0.768
local terms energy: -268.493993
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -43.907
flat angles C4'-P-C4' energy: -52.355
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -73.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -736.428704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.428704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.428704 (E_RNA)
where:
Base-Base interactions energy: -486.355
where: short stacking energy: -225.248
Base-Backbone interact. energy: -0.693
local terms energy: -249.381199
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -47.769
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -66.017
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: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -750.169996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.169996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.169996 (E_RNA)
where:
Base-Base interactions energy: -523.916
where: short stacking energy: -251.030
Base-Backbone interact. energy: -2.025
local terms energy: -224.229323
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -60.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -670.946257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.946257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.946257 (E_RNA)
where:
Base-Base interactions energy: -441.511
where: short stacking energy: -206.790
Base-Backbone interact. energy: -0.933
local terms energy: -228.502700
where:
bonds (distance) C4'-P energy: -46.702
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -32.403
tors. eta vs tors. theta energy: -54.677
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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -602.548718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.548718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.548718 (E_RNA)
where:
Base-Base interactions energy: -398.196
where: short stacking energy: -157.949
Base-Backbone interact. energy: -1.034
local terms energy: -203.318861
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -557.629692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.629692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.629692 (E_RNA)
where:
Base-Base interactions energy: -358.885
where: short stacking energy: -169.935
Base-Backbone interact. energy: 2.470
local terms energy: -201.214688
where:
bonds (distance) C4'-P energy: -41.794
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -44.024
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -33.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -289.963363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.963363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.963363 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -86.197
Base-Backbone interact. energy: -2.313
local terms energy: -160.928165
where:
bonds (distance) C4'-P energy: -40.993
bonds (distance) P-C4' energy: -47.331
flat angles C4'-P-C4' energy: -46.957
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -213.399512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.399512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.399512 (E_RNA)
where:
Base-Base interactions energy: -82.751
where: short stacking energy: -74.101
Base-Backbone interact. energy: -2.119
local terms energy: -128.529476
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -34.941
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: 6.777
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: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -906.366013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.366013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.366013 (E_RNA)
where:
Base-Base interactions energy: -625.133
where: short stacking energy: -279.687
Base-Backbone interact. energy: -1.343
local terms energy: -279.889793
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -47.632
flat angles C4'-P-C4' energy: -55.274
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -87.018
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -873.586567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.586567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.586567 (E_RNA)
where:
Base-Base interactions energy: -611.879
where: short stacking energy: -257.384
Base-Backbone interact. energy: -1.800
local terms energy: -259.908285
where:
bonds (distance) C4'-P energy: -41.284
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -58.065
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -841.987543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.987543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.987543 (E_RNA)
where:
Base-Base interactions energy: -562.982
where: short stacking energy: -239.948
Base-Backbone interact. energy: 0.046
local terms energy: -279.051559
where:
bonds (distance) C4'-P energy: -59.861
bonds (distance) P-C4' energy: -59.065
flat angles C4'-P-C4' energy: -56.623
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -64.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -732.183014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.183014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.183014 (E_RNA)
where:
Base-Base interactions energy: -487.994
where: short stacking energy: -218.621
Base-Backbone interact. energy: -0.239
local terms energy: -243.950041
where:
bonds (distance) C4'-P energy: -46.608
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -58.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -749.512937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.512937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.512937 (E_RNA)
where:
Base-Base interactions energy: -505.234
where: short stacking energy: -215.504
Base-Backbone interact. energy: -0.438
local terms energy: -243.840419
where:
bonds (distance) C4'-P energy: -47.370
bonds (distance) P-C4' energy: -60.214
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -37.016
tors. eta vs tors. theta energy: -56.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -653.577345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.577345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.577345 (E_RNA)
where:
Base-Base interactions energy: -436.488
where: short stacking energy: -194.866
Base-Backbone interact. energy: 0.898
local terms energy: -217.987282
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -53.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -574.568375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.568375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.568375 (E_RNA)
where:
Base-Base interactions energy: -360.462
where: short stacking energy: -159.008
Base-Backbone interact. energy: -0.133
local terms energy: -213.973041
where:
bonds (distance) C4'-P energy: -50.566
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -54.892
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -43.599
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: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -588.450495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.450495 (E_RNA)
where:
Base-Base interactions energy: -397.136
where: short stacking energy: -165.594
Base-Backbone interact. energy: -0.817
local terms energy: -190.497859
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -44.479
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -35.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -305.174400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.174400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.174400 (E_RNA)
where:
Base-Base interactions energy: -129.565
where: short stacking energy: -88.820
Base-Backbone interact. energy: -0.716
local terms energy: -174.893748
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -41.726
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -214.145776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.145776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.145776 (E_RNA)
where:
Base-Base interactions energy: -75.962
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.952
local terms energy: -137.231303
where:
bonds (distance) C4'-P energy: -36.368
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -923.454764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.454764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.454764 (E_RNA)
where:
Base-Base interactions energy: -637.487
where: short stacking energy: -272.960
Base-Backbone interact. energy: -1.237
local terms energy: -284.731555
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -57.637
flat angles C4'-P-C4' energy: -59.986
flat angles P-C4'-P energy: -33.316
tors. eta vs tors. theta energy: -80.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -869.219000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.219000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.219000 (E_RNA)
where:
Base-Base interactions energy: -599.647
where: short stacking energy: -256.515
Base-Backbone interact. energy: -0.752
local terms energy: -268.819981
where:
bonds (distance) C4'-P energy: -53.079
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -849.053090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.053090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.053090 (E_RNA)
where:
Base-Base interactions energy: -590.711
where: short stacking energy: -252.067
Base-Backbone interact. energy: -1.184
local terms energy: -257.157867
where:
bonds (distance) C4'-P energy: -47.959
bonds (distance) P-C4' energy: -52.666
flat angles C4'-P-C4' energy: -52.922
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -66.166
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: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -761.979647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.979647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.979647 (E_RNA)
where:
Base-Base interactions energy: -504.329
where: short stacking energy: -231.776
Base-Backbone interact. energy: -0.418
local terms energy: -257.233468
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -60.932
flat angles C4'-P-C4' energy: -58.756
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: -63.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -750.527713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.527713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.527713 (E_RNA)
where:
Base-Base interactions energy: -490.735
where: short stacking energy: -227.174
Base-Backbone interact. energy: -0.995
local terms energy: -258.798501
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -58.268
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -61.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -661.452212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.452212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.452212 (E_RNA)
where:
Base-Base interactions energy: -441.440
where: short stacking energy: -189.756
Base-Backbone interact. energy: -0.582
local terms energy: -219.430093
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -47.500
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: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -583.693721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.693721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.693721 (E_RNA)
where:
Base-Base interactions energy: -378.637
where: short stacking energy: -176.521
Base-Backbone interact. energy: -1.452
local terms energy: -203.604188
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -50.775
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -30.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -566.640845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.640845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.640845 (E_RNA)
where:
Base-Base interactions energy: -367.144
where: short stacking energy: -168.408
Base-Backbone interact. energy: -0.524
local terms energy: -198.972920
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -366.747475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.747475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.747475 (E_RNA)
where:
Base-Base interactions energy: -192.387
where: short stacking energy: -110.457
Base-Backbone interact. energy: 1.080
local terms energy: -175.440447
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -207.846851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.846851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.846851 (E_RNA)
where:
Base-Base interactions energy: -64.208
where: short stacking energy: -58.062
Base-Backbone interact. energy: -1.138
local terms energy: -142.501063
where:
bonds (distance) C4'-P energy: -41.253
bonds (distance) P-C4' energy: -59.598
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: 9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -908.479424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.479424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.479424 (E_RNA)
where:
Base-Base interactions energy: -616.084
where: short stacking energy: -280.535
Base-Backbone interact. energy: -2.659
local terms energy: -289.735936
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -61.409
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -77.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -899.185516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.185516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.185516 (E_RNA)
where:
Base-Base interactions energy: -609.027
where: short stacking energy: -275.879
Base-Backbone interact. energy: -1.346
local terms energy: -288.813103
where:
bonds (distance) C4'-P energy: -52.614
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -57.365
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -86.028
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: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -882.388658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.388658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.388658 (E_RNA)
where:
Base-Base interactions energy: -612.703
where: short stacking energy: -250.949
Base-Backbone interact. energy: -2.309
local terms energy: -267.376499
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -59.772
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -74.350
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: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -791.762707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.762707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.762707 (E_RNA)
where:
Base-Base interactions energy: -546.101
where: short stacking energy: -236.533
Base-Backbone interact. energy: 1.032
local terms energy: -246.693979
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -37.650
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: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -742.582718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.582718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.582718 (E_RNA)
where:
Base-Base interactions energy: -500.289
where: short stacking energy: -214.845
Base-Backbone interact. energy: -0.185
local terms energy: -242.107930
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -60.838
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: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -656.184157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.184157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.184157 (E_RNA)
where:
Base-Base interactions energy: -434.577
where: short stacking energy: -187.311
Base-Backbone interact. energy: -1.372
local terms energy: -220.235436
where:
bonds (distance) C4'-P energy: -43.514
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -48.623
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: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -584.101849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.101849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.101849 (E_RNA)
where:
Base-Base interactions energy: -366.899
where: short stacking energy: -149.485
Base-Backbone interact. energy: -0.667
local terms energy: -216.535522
where:
bonds (distance) C4'-P energy: -49.337
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -37.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -577.737436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.737436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.737436 (E_RNA)
where:
Base-Base interactions energy: -397.851
where: short stacking energy: -181.508
Base-Backbone interact. energy: 5.661
local terms energy: -185.547616
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -45.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -374.678749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.678749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.678749 (E_RNA)
where:
Base-Base interactions energy: -208.818
where: short stacking energy: -103.143
Base-Backbone interact. energy: -0.860
local terms energy: -165.000659
where:
bonds (distance) C4'-P energy: -43.336
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -15.373
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: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -215.796502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.796502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.796502 (E_RNA)
where:
Base-Base interactions energy: -82.377
where: short stacking energy: -66.867
Base-Backbone interact. energy: -2.603
local terms energy: -130.816356
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -43.963
flat angles C4'-P-C4' energy: -43.224
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: 9.495
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: 389
Temperature: 0.900000
Total energy: -904.852038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.852038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.852038 (E_RNA)
where:
Base-Base interactions energy: -613.250
where: short stacking energy: -268.373
Base-Backbone interact. energy: -3.137
local terms energy: -288.465358
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -60.337
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -40.724
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: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -880.951781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.951781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.951781 (E_RNA)
where:
Base-Base interactions energy: -626.475
where: short stacking energy: -253.933
Base-Backbone interact. energy: -1.009
local terms energy: -253.467904
where:
bonds (distance) C4'-P energy: -36.784
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -57.387
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -70.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -869.342296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.342296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.342296 (E_RNA)
where:
Base-Base interactions energy: -614.784
where: short stacking energy: -276.627
Base-Backbone interact. energy: -1.375
local terms energy: -253.183205
where:
bonds (distance) C4'-P energy: -33.508
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -34.907
tors. eta vs tors. theta energy: -76.724
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: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -760.196990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.196990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.196990 (E_RNA)
where:
Base-Base interactions energy: -506.322
where: short stacking energy: -234.182
Base-Backbone interact. energy: 0.284
local terms energy: -254.159441
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -51.177
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -64.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -725.242191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.242191 (E_RNA)
where:
Base-Base interactions energy: -478.469
where: short stacking energy: -211.479
Base-Backbone interact. energy: -1.282
local terms energy: -245.491141
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -59.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -657.008937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.008937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.008937 (E_RNA)
where:
Base-Base interactions energy: -438.816
where: short stacking energy: -170.153
Base-Backbone interact. energy: -2.853
local terms energy: -215.339571
where:
bonds (distance) C4'-P energy: -45.187
bonds (distance) P-C4' energy: -49.858
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -32.787
tors. eta vs tors. theta energy: -40.210
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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -616.906178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.906178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.906178 (E_RNA)
where:
Base-Base interactions energy: -397.670
where: short stacking energy: -171.262
Base-Backbone interact. energy: -1.343
local terms energy: -217.892910
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -44.728
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -30.506
tors. eta vs tors. theta energy: -42.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -591.441831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.441831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.441831 (E_RNA)
where:
Base-Base interactions energy: -379.777
where: short stacking energy: -177.611
Base-Backbone interact. energy: 2.059
local terms energy: -213.724035
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -53.900
flat angles C4'-P-C4' energy: -42.433
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -50.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -341.532959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.532959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.532959 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -104.902
Base-Backbone interact. energy: 0.925
local terms energy: -178.929654
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -15.357
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: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -222.142339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142339 (E_RNA)
where:
Base-Base interactions energy: -108.276
where: short stacking energy: -73.310
Base-Backbone interact. energy: 0.482
local terms energy: -114.348446
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: 4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -899.293713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.293713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.293713 (E_RNA)
where:
Base-Base interactions energy: -620.315
where: short stacking energy: -266.746
Base-Backbone interact. energy: -0.546
local terms energy: -278.432517
where:
bonds (distance) C4'-P energy: -51.251
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -69.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -876.233671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.233671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.233671 (E_RNA)
where:
Base-Base interactions energy: -612.916
where: short stacking energy: -229.644
Base-Backbone interact. energy: -0.560
local terms energy: -262.757299
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -37.348
tors. eta vs tors. theta energy: -62.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -873.769230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.769230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.769230 (E_RNA)
where:
Base-Base interactions energy: -593.884
where: short stacking energy: -255.828
Base-Backbone interact. energy: -0.040
local terms energy: -279.845072
where:
bonds (distance) C4'-P energy: -57.398
bonds (distance) P-C4' energy: -47.996
flat angles C4'-P-C4' energy: -62.425
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -79.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -761.220654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.220654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.220654 (E_RNA)
where:
Base-Base interactions energy: -509.288
where: short stacking energy: -246.092
Base-Backbone interact. energy: -0.701
local terms energy: -251.232057
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -64.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -720.377995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.377995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.377995 (E_RNA)
where:
Base-Base interactions energy: -504.796
where: short stacking energy: -222.274
Base-Backbone interact. energy: -1.386
local terms energy: -214.196231
where:
bonds (distance) C4'-P energy: -46.334
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -55.030
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -690.105300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.105300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.105300 (E_RNA)
where:
Base-Base interactions energy: -470.534
where: short stacking energy: -194.959
Base-Backbone interact. energy: -0.717
local terms energy: -218.854500
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -52.600
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -45.138
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: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -616.523849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.523849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.523849 (E_RNA)
where:
Base-Base interactions energy: -397.194
where: short stacking energy: -170.313
Base-Backbone interact. energy: -1.414
local terms energy: -217.916091
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -44.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -544.220273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.220273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.220273 (E_RNA)
where:
Base-Base interactions energy: -341.845
where: short stacking energy: -157.060
Base-Backbone interact. energy: -0.005
local terms energy: -202.370456
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -45.173
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -33.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -332.520578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.520578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.520578 (E_RNA)
where:
Base-Base interactions energy: -168.103
where: short stacking energy: -92.592
Base-Backbone interact. energy: -0.923
local terms energy: -163.495370
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -39.896
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -241.879222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.879222 (E_RNA)
where:
Base-Base interactions energy: -103.665
where: short stacking energy: -81.750
Base-Backbone interact. energy: 3.451
local terms energy: -141.664836
where:
bonds (distance) C4'-P energy: -31.835
bonds (distance) P-C4' energy: -52.124
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -898.459090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.459090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.459090 (E_RNA)
where:
Base-Base interactions energy: -612.432
where: short stacking energy: -267.728
Base-Backbone interact. energy: -1.464
local terms energy: -284.562502
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -903.456920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.456920 (E_RNA)
where:
Base-Base interactions energy: -621.052
where: short stacking energy: -277.220
Base-Backbone interact. energy: 0.517
local terms energy: -282.921855
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -56.327
flat angles C4'-P-C4' energy: -54.833
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -79.662
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: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -873.265628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.265628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.265628 (E_RNA)
where:
Base-Base interactions energy: -611.327
where: short stacking energy: -243.488
Base-Backbone interact. energy: -0.473
local terms energy: -261.465170
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -43.612
flat angles C4'-P-C4' energy: -65.113
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -68.266
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: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -785.448749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.448749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.448749 (E_RNA)
where:
Base-Base interactions energy: -540.251
where: short stacking energy: -244.512
Base-Backbone interact. energy: -1.082
local terms energy: -244.115445
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -51.412
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -64.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -719.815085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.815085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.815085 (E_RNA)
where:
Base-Base interactions energy: -489.311
where: short stacking energy: -220.907
Base-Backbone interact. energy: -0.836
local terms energy: -229.668772
where:
bonds (distance) C4'-P energy: -48.574
bonds (distance) P-C4' energy: -43.349
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -54.926
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -672.321111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.321111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.321111 (E_RNA)
where:
Base-Base interactions energy: -469.400
where: short stacking energy: -204.775
Base-Backbone interact. energy: 1.449
local terms energy: -204.370132
where:
bonds (distance) C4'-P energy: -38.444
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -58.258
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -44.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -623.000095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.000095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.000095 (E_RNA)
where:
Base-Base interactions energy: -396.152
where: short stacking energy: -178.730
Base-Backbone interact. energy: 0.171
local terms energy: -227.018876
where:
bonds (distance) C4'-P energy: -55.743
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -49.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -590.583623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.583623 (E_RNA)
where:
Base-Base interactions energy: -380.613
where: short stacking energy: -187.065
Base-Backbone interact. energy: -2.050
local terms energy: -207.921331
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -45.390
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -46.348
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: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -323.701832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.701832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.701832 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -87.245
Base-Backbone interact. energy: 0.286
local terms energy: -170.882140
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -38.681
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -231.506709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.506709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.506709 (E_RNA)
where:
Base-Base interactions energy: -88.898
where: short stacking energy: -79.964
Base-Backbone interact. energy: -0.661
local terms energy: -141.947334
where:
bonds (distance) C4'-P energy: -45.257
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: 4.989
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: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -904.383575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.383575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.383575 (E_RNA)
where:
Base-Base interactions energy: -612.315
where: short stacking energy: -265.366
Base-Backbone interact. energy: -0.996
local terms energy: -291.072357
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -39.129
tors. eta vs tors. theta energy: -81.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -885.782486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.782486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.782486 (E_RNA)
where:
Base-Base interactions energy: -606.967
where: short stacking energy: -258.914
Base-Backbone interact. energy: -1.289
local terms energy: -277.526297
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -55.505
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -43.429
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: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -879.683099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.683099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.683099 (E_RNA)
where:
Base-Base interactions energy: -607.592
where: short stacking energy: -245.553
Base-Backbone interact. energy: -1.457
local terms energy: -270.633778
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -54.696
flat angles P-C4'-P energy: -38.132
tors. eta vs tors. theta energy: -76.807
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -763.309721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.309721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.309721 (E_RNA)
where:
Base-Base interactions energy: -505.032
where: short stacking energy: -222.632
Base-Backbone interact. energy: -1.062
local terms energy: -257.215756
where:
bonds (distance) C4'-P energy: -50.535
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -53.580
flat angles P-C4'-P energy: -36.006
tors. eta vs tors. theta energy: -66.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -738.487535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.487535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.487535 (E_RNA)
where:
Base-Base interactions energy: -498.189
where: short stacking energy: -213.737
Base-Backbone interact. energy: 2.492
local terms energy: -242.790350
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -58.703
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -54.267
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -668.025665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.025665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.025665 (E_RNA)
where:
Base-Base interactions energy: -448.529
where: short stacking energy: -213.589
Base-Backbone interact. energy: -0.317
local terms energy: -219.179743
where:
bonds (distance) C4'-P energy: -38.306
bonds (distance) P-C4' energy: -37.191
flat angles C4'-P-C4' energy: -48.785
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -57.991
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: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -593.210983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.210983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.210983 (E_RNA)
where:
Base-Base interactions energy: -396.995
where: short stacking energy: -166.744
Base-Backbone interact. energy: 0.836
local terms energy: -197.051758
where:
bonds (distance) C4'-P energy: -45.138
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -580.075488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.075488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.075488 (E_RNA)
where:
Base-Base interactions energy: -369.912
where: short stacking energy: -165.173
Base-Backbone interact. energy: 3.189
local terms energy: -213.352710
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -52.453
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -37.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -307.242360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.242360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.242360 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -87.860
Base-Backbone interact. energy: -2.410
local terms energy: -148.207311
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -254.662027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.662027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.662027 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -64.956
Base-Backbone interact. energy: -1.347
local terms energy: -147.938793
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -916.965734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.965734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.965734 (E_RNA)
where:
Base-Base interactions energy: -632.226
where: short stacking energy: -275.749
Base-Backbone interact. energy: -0.428
local terms energy: -284.311197
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -56.411
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -81.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -878.591353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.591353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.591353 (E_RNA)
where:
Base-Base interactions energy: -604.319
where: short stacking energy: -270.101
Base-Backbone interact. energy: -2.239
local terms energy: -272.032850
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -58.517
flat angles P-C4'-P energy: -46.754
tors. eta vs tors. theta energy: -69.200
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: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -872.565745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.565745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.565745 (E_RNA)
where:
Base-Base interactions energy: -609.514
where: short stacking energy: -250.064
Base-Backbone interact. energy: -1.283
local terms energy: -261.768602
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -54.457
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -74.394
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -784.868536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.868536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.868536 (E_RNA)
where:
Base-Base interactions energy: -524.987
where: short stacking energy: -254.946
Base-Backbone interact. energy: 2.018
local terms energy: -261.899638
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -53.409
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -70.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -750.679543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.679543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.679543 (E_RNA)
where:
Base-Base interactions energy: -504.866
where: short stacking energy: -231.019
Base-Backbone interact. energy: 0.810
local terms energy: -246.623858
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -46.385
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -56.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -695.803596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.803596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.803596 (E_RNA)
where:
Base-Base interactions energy: -467.961
where: short stacking energy: -209.041
Base-Backbone interact. energy: 0.822
local terms energy: -228.664775
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -44.845
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -581.781812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.781812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.781812 (E_RNA)
where:
Base-Base interactions energy: -373.462
where: short stacking energy: -175.950
Base-Backbone interact. energy: -0.890
local terms energy: -207.430737
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -53.929
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -33.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -548.509553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.509553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.509553 (E_RNA)
where:
Base-Base interactions energy: -350.270
where: short stacking energy: -152.158
Base-Backbone interact. energy: 0.363
local terms energy: -198.602531
where:
bonds (distance) C4'-P energy: -48.521
bonds (distance) P-C4' energy: -46.585
flat angles C4'-P-C4' energy: -47.768
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -235.638604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.638604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.638604 (E_RNA)
where:
Base-Base interactions energy: -88.199
where: short stacking energy: -82.801
Base-Backbone interact. energy: 0.862
local terms energy: -148.301762
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -4.917
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: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -234.365969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365969 (E_RNA)
where:
Base-Base interactions energy: -79.801
where: short stacking energy: -65.983
Base-Backbone interact. energy: 0.358
local terms energy: -154.922528
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -886.515244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.515244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.515244 (E_RNA)
where:
Base-Base interactions energy: -606.728
where: short stacking energy: -266.879
Base-Backbone interact. energy: -1.013
local terms energy: -278.774040
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -69.214
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: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -902.109799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.109799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.109799 (E_RNA)
where:
Base-Base interactions energy: -614.347
where: short stacking energy: -271.346
Base-Backbone interact. energy: -1.320
local terms energy: -286.443568
where:
bonds (distance) C4'-P energy: -51.496
bonds (distance) P-C4' energy: -57.344
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -87.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -859.385206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.385206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.385206 (E_RNA)
where:
Base-Base interactions energy: -587.184
where: short stacking energy: -257.776
Base-Backbone interact. energy: -1.539
local terms energy: -270.662164
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -54.305
flat angles P-C4'-P energy: -34.240
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: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -763.701122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.701122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.701122 (E_RNA)
where:
Base-Base interactions energy: -505.017
where: short stacking energy: -237.609
Base-Backbone interact. energy: -0.925
local terms energy: -257.759354
where:
bonds (distance) C4'-P energy: -38.816
bonds (distance) P-C4' energy: -55.945
flat angles C4'-P-C4' energy: -55.532
flat angles P-C4'-P energy: -41.588
tors. eta vs tors. theta energy: -65.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -764.698196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.698196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.698196 (E_RNA)
where:
Base-Base interactions energy: -509.252
where: short stacking energy: -228.068
Base-Backbone interact. energy: -1.644
local terms energy: -253.802709
where:
bonds (distance) C4'-P energy: -55.612
bonds (distance) P-C4' energy: -49.546
flat angles C4'-P-C4' energy: -50.615
flat angles P-C4'-P energy: -33.258
tors. eta vs tors. theta energy: -64.771
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: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -648.921482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.921482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.921482 (E_RNA)
where:
Base-Base interactions energy: -410.795
where: short stacking energy: -184.912
Base-Backbone interact. energy: -2.252
local terms energy: -235.875216
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -48.869
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: -47.461
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: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -595.155974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.155974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.155974 (E_RNA)
where:
Base-Base interactions energy: -386.613
where: short stacking energy: -178.423
Base-Backbone interact. energy: -0.543
local terms energy: -207.999390
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -49.041
flat angles C4'-P-C4' energy: -50.705
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -42.012
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: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -581.830731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.830731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.830731 (E_RNA)
where:
Base-Base interactions energy: -374.273
where: short stacking energy: -161.136
Base-Backbone interact. energy: -0.982
local terms energy: -206.574838
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -53.915
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -254.654896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.654896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.654896 (E_RNA)
where:
Base-Base interactions energy: -106.299
where: short stacking energy: -85.039
Base-Backbone interact. energy: -0.843
local terms energy: -147.513762
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -49.628
flat angles C4'-P-C4' energy: -43.159
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: 3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -226.645504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.645504 (E_RNA)
where:
Base-Base interactions energy: -72.396
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.611
local terms energy: -153.638211
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: 6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -898.571436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.571436 (E_RNA)
where:
Base-Base interactions energy: -632.265
where: short stacking energy: -272.065
Base-Backbone interact. energy: -0.155
local terms energy: -266.150692
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -71.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -881.483017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.483017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.483017 (E_RNA)
where:
Base-Base interactions energy: -599.078
where: short stacking energy: -253.210
Base-Backbone interact. energy: -1.195
local terms energy: -281.209856
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -57.941
flat angles C4'-P-C4' energy: -63.327
flat angles P-C4'-P energy: -36.179
tors. eta vs tors. theta energy: -71.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -872.996019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.996019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.996019 (E_RNA)
where:
Base-Base interactions energy: -616.471
where: short stacking energy: -271.787
Base-Backbone interact. energy: -0.586
local terms energy: -255.938842
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -54.292
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -76.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -726.840519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.840519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.840519 (E_RNA)
where:
Base-Base interactions energy: -469.654
where: short stacking energy: -215.765
Base-Backbone interact. energy: -0.277
local terms energy: -256.909333
where:
bonds (distance) C4'-P energy: -51.364
bonds (distance) P-C4' energy: -49.792
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -57.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -722.120245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.120245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.120245 (E_RNA)
where:
Base-Base interactions energy: -469.003
where: short stacking energy: -211.091
Base-Backbone interact. energy: 0.371
local terms energy: -253.488464
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -59.230
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: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -671.411934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.411934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.411934 (E_RNA)
where:
Base-Base interactions energy: -454.888
where: short stacking energy: -192.491
Base-Backbone interact. energy: -2.199
local terms energy: -214.324966
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -45.407
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: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -585.151089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.151089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.151089 (E_RNA)
where:
Base-Base interactions energy: -379.544
where: short stacking energy: -177.307
Base-Backbone interact. energy: 0.807
local terms energy: -206.413898
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -40.031
flat angles C4'-P-C4' energy: -53.792
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -566.387607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.387607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.387607 (E_RNA)
where:
Base-Base interactions energy: -388.824
where: short stacking energy: -180.075
Base-Backbone interact. energy: -1.433
local terms energy: -176.130558
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -47.365
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -41.355
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: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -239.433054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.433054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.433054 (E_RNA)
where:
Base-Base interactions energy: -93.228
where: short stacking energy: -79.128
Base-Backbone interact. energy: -0.670
local terms energy: -145.535017
where:
bonds (distance) C4'-P energy: -39.536
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -6.495
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: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -208.362602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.362602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.362602 (E_RNA)
where:
Base-Base interactions energy: -81.238
where: short stacking energy: -54.783
Base-Backbone interact. energy: 6.987
local terms energy: -134.111407
where:
bonds (distance) C4'-P energy: -48.470
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: 12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -916.622811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.622811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.622811 (E_RNA)
where:
Base-Base interactions energy: -625.484
where: short stacking energy: -271.853
Base-Backbone interact. energy: -1.080
local terms energy: -290.058647
where:
bonds (distance) C4'-P energy: -51.470
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -59.937
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -76.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -888.034772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.034772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.034772 (E_RNA)
where:
Base-Base interactions energy: -605.361
where: short stacking energy: -251.052
Base-Backbone interact. energy: 0.145
local terms energy: -282.819397
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -64.272
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -65.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -867.691800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.691800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.691800 (E_RNA)
where:
Base-Base interactions energy: -593.980
where: short stacking energy: -274.658
Base-Backbone interact. energy: -0.879
local terms energy: -272.832826
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -63.144
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -78.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -746.198781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.198781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.198781 (E_RNA)
where:
Base-Base interactions energy: -510.824
where: short stacking energy: -216.079
Base-Backbone interact. energy: -1.049
local terms energy: -234.325050
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -64.207
flat angles P-C4'-P energy: -33.328
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: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -692.962808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.962808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.962808 (E_RNA)
where:
Base-Base interactions energy: -453.830
where: short stacking energy: -193.664
Base-Backbone interact. energy: 1.032
local terms energy: -240.165020
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -58.906
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -717.663875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.663875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.663875 (E_RNA)
where:
Base-Base interactions energy: -493.608
where: short stacking energy: -208.619
Base-Backbone interact. energy: 0.651
local terms energy: -224.706054
where:
bonds (distance) C4'-P energy: -43.650
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -44.364
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: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -589.343236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.343236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.343236 (E_RNA)
where:
Base-Base interactions energy: -384.965
where: short stacking energy: -185.262
Base-Backbone interact. energy: 0.966
local terms energy: -205.344502
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -36.778
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -41.144
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -564.533548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.533548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.533548 (E_RNA)
where:
Base-Base interactions energy: -375.003
where: short stacking energy: -165.849
Base-Backbone interact. energy: -0.863
local terms energy: -188.668309
where:
bonds (distance) C4'-P energy: -42.011
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -29.414
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -248.210157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.210157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.210157 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -73.933
Base-Backbone interact. energy: 1.506
local terms energy: -132.758774
where:
bonds (distance) C4'-P energy: -36.212
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -21.933
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: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -219.772412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.772412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.772412 (E_RNA)
where:
Base-Base interactions energy: -83.863
where: short stacking energy: -64.129
Base-Backbone interact. energy: -1.655
local terms energy: -134.254897
where:
bonds (distance) C4'-P energy: -52.827
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -898.060674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.060674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.060674 (E_RNA)
where:
Base-Base interactions energy: -605.054
where: short stacking energy: -275.162
Base-Backbone interact. energy: -0.030
local terms energy: -292.976199
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -59.973
flat angles C4'-P-C4' energy: -61.047
flat angles P-C4'-P energy: -42.946
tors. eta vs tors. theta energy: -72.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -878.203243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.203243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.203243 (E_RNA)
where:
Base-Base interactions energy: -591.077
where: short stacking energy: -273.207
Base-Backbone interact. energy: -0.664
local terms energy: -286.462532
where:
bonds (distance) C4'-P energy: -50.323
bonds (distance) P-C4' energy: -51.287
flat angles C4'-P-C4' energy: -61.625
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -83.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -854.232024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.232024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.232024 (E_RNA)
where:
Base-Base interactions energy: -607.392
where: short stacking energy: -241.108
Base-Backbone interact. energy: 0.999
local terms energy: -247.838821
where:
bonds (distance) C4'-P energy: -48.260
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -34.708
tors. eta vs tors. theta energy: -63.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -741.030712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.030712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.030712 (E_RNA)
where:
Base-Base interactions energy: -496.009
where: short stacking energy: -216.785
Base-Backbone interact. energy: -1.658
local terms energy: -243.364591
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -55.030
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: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -685.158865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.158865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.158865 (E_RNA)
where:
Base-Base interactions energy: -455.779
where: short stacking energy: -205.223
Base-Backbone interact. energy: -0.894
local terms energy: -228.486161
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -52.149
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -46.895
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: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -684.404828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.404828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.404828 (E_RNA)
where:
Base-Base interactions energy: -439.428
where: short stacking energy: -203.903
Base-Backbone interact. energy: -0.519
local terms energy: -244.457310
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -33.369
tors. eta vs tors. theta energy: -54.238
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: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -623.436836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.436836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.436836 (E_RNA)
where:
Base-Base interactions energy: -408.655
where: short stacking energy: -211.052
Base-Backbone interact. energy: 0.469
local terms energy: -215.250483
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -28.548
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: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -568.868184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.868184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.868184 (E_RNA)
where:
Base-Base interactions energy: -366.069
where: short stacking energy: -153.302
Base-Backbone interact. energy: -1.389
local terms energy: -201.409830
where:
bonds (distance) C4'-P energy: -42.415
bonds (distance) P-C4' energy: -46.749
flat angles C4'-P-C4' energy: -41.974
flat angles P-C4'-P energy: -33.261
tors. eta vs tors. theta energy: -37.011
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: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -241.076586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.076586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.076586 (E_RNA)
where:
Base-Base interactions energy: -86.537
where: short stacking energy: -82.714
Base-Backbone interact. energy: -0.066
local terms energy: -154.473596
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -25.369
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -226.043087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.043087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.043087 (E_RNA)
where:
Base-Base interactions energy: -88.306
where: short stacking energy: -79.469
Base-Backbone interact. energy: -1.074
local terms energy: -136.662933
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -46.222
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: 13.732
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: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -905.427604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.427604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.427604 (E_RNA)
where:
Base-Base interactions energy: -609.304
where: short stacking energy: -286.773
Base-Backbone interact. energy: -0.511
local terms energy: -295.612597
where:
bonds (distance) C4'-P energy: -52.303
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -59.221
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -87.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -893.919230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.919230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.919230 (E_RNA)
where:
Base-Base interactions energy: -615.983
where: short stacking energy: -277.813
Base-Backbone interact. energy: -1.089
local terms energy: -276.847084
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -59.083
flat angles P-C4'-P energy: -39.575
tors. eta vs tors. theta energy: -77.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -878.850274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.850274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.850274 (E_RNA)
where:
Base-Base interactions energy: -626.371
where: short stacking energy: -230.118
Base-Backbone interact. energy: 0.200
local terms energy: -252.680077
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -55.957
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -63.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -745.672902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.672902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.672902 (E_RNA)
where:
Base-Base interactions energy: -498.859
where: short stacking energy: -231.336
Base-Backbone interact. energy: -1.499
local terms energy: -245.315146
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -35.940
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: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -739.255896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.255896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.255896 (E_RNA)
where:
Base-Base interactions energy: -493.288
where: short stacking energy: -226.285
Base-Backbone interact. energy: -0.785
local terms energy: -245.183526
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -34.086
tors. eta vs tors. theta energy: -60.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -667.459622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.459622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.459622 (E_RNA)
where:
Base-Base interactions energy: -437.814
where: short stacking energy: -187.860
Base-Backbone interact. energy: -0.819
local terms energy: -228.826694
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -44.276
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -45.235
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -619.542791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.542791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.542791 (E_RNA)
where:
Base-Base interactions energy: -395.494
where: short stacking energy: -168.270
Base-Backbone interact. energy: 1.582
local terms energy: -225.630378
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -41.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -581.097536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.097536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.097536 (E_RNA)
where:
Base-Base interactions energy: -381.602
where: short stacking energy: -180.034
Base-Backbone interact. energy: -0.582
local terms energy: -198.913745
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -41.892
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -37.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -236.771522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.771522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.771522 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -80.449
Base-Backbone interact. energy: 2.466
local terms energy: -142.278514
where:
bonds (distance) C4'-P energy: -45.979
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -230.086638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.086638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.086638 (E_RNA)
where:
Base-Base interactions energy: -99.136
where: short stacking energy: -88.806
Base-Backbone interact. energy: 0.664
local terms energy: -131.614327
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -42.637
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: 7.004
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: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -894.199784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.199784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.199784 (E_RNA)
where:
Base-Base interactions energy: -606.470
where: short stacking energy: -260.649
Base-Backbone interact. energy: -0.538
local terms energy: -287.191228
where:
bonds (distance) C4'-P energy: -51.786
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -60.047
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: -80.852
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -879.649858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.649858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.649858 (E_RNA)
where:
Base-Base interactions energy: -595.227
where: short stacking energy: -252.939
Base-Backbone interact. energy: -1.567
local terms energy: -282.856624
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -75.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -865.966745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.966745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.966745 (E_RNA)
where:
Base-Base interactions energy: -593.021
where: short stacking energy: -261.805
Base-Backbone interact. energy: -3.124
local terms energy: -269.821430
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -45.834
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -74.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -798.004585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.004585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.004585 (E_RNA)
where:
Base-Base interactions energy: -540.278
where: short stacking energy: -228.890
Base-Backbone interact. energy: 0.380
local terms energy: -258.106273
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -54.775
flat angles C4'-P-C4' energy: -46.694
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -69.157
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: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -741.404746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.404746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.404746 (E_RNA)
where:
Base-Base interactions energy: -510.677
where: short stacking energy: -204.137
Base-Backbone interact. energy: -1.098
local terms energy: -229.629941
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -48.507
flat angles P-C4'-P energy: -37.104
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: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -684.279938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.279938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.279938 (E_RNA)
where:
Base-Base interactions energy: -439.971
where: short stacking energy: -191.656
Base-Backbone interact. energy: -0.698
local terms energy: -243.610556
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -52.144
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -675.121931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.121931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.121931 (E_RNA)
where:
Base-Base interactions energy: -464.224
where: short stacking energy: -198.996
Base-Backbone interact. energy: 2.094
local terms energy: -212.991971
where:
bonds (distance) C4'-P energy: -40.502
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -52.327
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -45.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -588.573092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.573092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.573092 (E_RNA)
where:
Base-Base interactions energy: -385.623
where: short stacking energy: -174.458
Base-Backbone interact. energy: -0.909
local terms energy: -202.041165
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -32.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -240.147318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.147318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.147318 (E_RNA)
where:
Base-Base interactions energy: -97.002
where: short stacking energy: -70.963
Base-Backbone interact. energy: 3.499
local terms energy: -146.644342
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -36.346
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: 3.992
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: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -229.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.603672 (E_RNA)
where:
Base-Base interactions energy: -72.988
where: short stacking energy: -69.827
Base-Backbone interact. energy: 0.063
local terms energy: -156.678585
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -38.264
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -0.102
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: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -906.351147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.351147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.351147 (E_RNA)
where:
Base-Base interactions energy: -624.548
where: short stacking energy: -269.994
Base-Backbone interact. energy: 1.120
local terms energy: -282.923380
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -37.769
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -888.163725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.163725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.163725 (E_RNA)
where:
Base-Base interactions energy: -609.264
where: short stacking energy: -241.511
Base-Backbone interact. energy: 0.604
local terms energy: -279.503308
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -57.449
flat angles C4'-P-C4' energy: -55.951
flat angles P-C4'-P energy: -45.263
tors. eta vs tors. theta energy: -71.698
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -855.332637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.332637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.332637 (E_RNA)
where:
Base-Base interactions energy: -589.909
where: short stacking energy: -259.436
Base-Backbone interact. energy: -0.322
local terms energy: -265.100901
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -58.458
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -67.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -788.308472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.308472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.308472 (E_RNA)
where:
Base-Base interactions energy: -523.362
where: short stacking energy: -236.302
Base-Backbone interact. energy: -1.499
local terms energy: -263.448009
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -56.305
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -70.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -717.569656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.569656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.569656 (E_RNA)
where:
Base-Base interactions energy: -482.957
where: short stacking energy: -191.109
Base-Backbone interact. energy: -1.018
local terms energy: -233.594812
where:
bonds (distance) C4'-P energy: -58.701
bonds (distance) P-C4' energy: -47.540
flat angles C4'-P-C4' energy: -49.760
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -39.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -714.108137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.108137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.108137 (E_RNA)
where:
Base-Base interactions energy: -491.703
where: short stacking energy: -219.574
Base-Backbone interact. energy: 1.663
local terms energy: -224.068167
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -50.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -659.325766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.325766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.325766 (E_RNA)
where:
Base-Base interactions energy: -451.705
where: short stacking energy: -186.769
Base-Backbone interact. energy: 1.435
local terms energy: -209.056393
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -53.504
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -580.044940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.044940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.044940 (E_RNA)
where:
Base-Base interactions energy: -380.075
where: short stacking energy: -175.435
Base-Backbone interact. energy: -0.332
local terms energy: -199.637802
where:
bonds (distance) C4'-P energy: -42.297
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -47.898
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -45.443
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: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -248.591810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.591810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.591810 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -77.382
Base-Backbone interact. energy: 1.178
local terms energy: -136.958378
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: 5.541
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: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -222.991305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991305 (E_RNA)
where:
Base-Base interactions energy: -76.523
where: short stacking energy: -63.333
Base-Backbone interact. energy: 3.603
local terms energy: -150.071284
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -45.872
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: 2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -910.616117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.616117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.616117 (E_RNA)
where:
Base-Base interactions energy: -628.213
where: short stacking energy: -281.561
Base-Backbone interact. energy: -0.550
local terms energy: -281.852944
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -80.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -903.474377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.474377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.474377 (E_RNA)
where:
Base-Base interactions energy: -630.240
where: short stacking energy: -243.703
Base-Backbone interact. energy: 0.803
local terms energy: -274.036635
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -68.872
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: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -846.965087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.965087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.965087 (E_RNA)
where:
Base-Base interactions energy: -584.931
where: short stacking energy: -238.041
Base-Backbone interact. energy: 0.644
local terms energy: -262.678219
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -50.009
flat angles P-C4'-P energy: -32.538
tors. eta vs tors. theta energy: -70.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -789.270414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.270414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.270414 (E_RNA)
where:
Base-Base interactions energy: -526.405
where: short stacking energy: -234.620
Base-Backbone interact. energy: -0.454
local terms energy: -262.412059
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -50.055
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -68.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -740.934997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.934997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.934997 (E_RNA)
where:
Base-Base interactions energy: -497.717
where: short stacking energy: -225.845
Base-Backbone interact. energy: -1.781
local terms energy: -241.437637
where:
bonds (distance) C4'-P energy: -41.476
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -60.865
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -60.219
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: 401
Temperature: 1.150000
Total energy: -718.437013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.437013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.437013 (E_RNA)
where:
Base-Base interactions energy: -500.634
where: short stacking energy: -226.798
Base-Backbone interact. energy: 0.451
local terms energy: -218.254135
where:
bonds (distance) C4'-P energy: -49.074
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -45.771
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -51.743
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -630.518825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.518825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.518825 (E_RNA)
where:
Base-Base interactions energy: -423.762
where: short stacking energy: -176.316
Base-Backbone interact. energy: 0.815
local terms energy: -207.571434
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -42.906
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -611.581767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.581767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.581767 (E_RNA)
where:
Base-Base interactions energy: -387.807
where: short stacking energy: -178.132
Base-Backbone interact. energy: 0.836
local terms energy: -224.610693
where:
bonds (distance) C4'-P energy: -51.978
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -34.866
tors. eta vs tors. theta energy: -46.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -321.724463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.724463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.724463 (E_RNA)
where:
Base-Base interactions energy: -149.465
where: short stacking energy: -82.904
Base-Backbone interact. energy: -0.804
local terms energy: -171.455479
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -41.235
flat angles C4'-P-C4' energy: -48.617
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -232.196116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.196116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.196116 (E_RNA)
where:
Base-Base interactions energy: -83.005
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.443
local terms energy: -148.748288
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: 6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -908.737442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.737442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.737442 (E_RNA)
where:
Base-Base interactions energy: -633.008
where: short stacking energy: -276.040
Base-Backbone interact. energy: -0.536
local terms energy: -275.193664
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -52.799
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -81.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -903.985298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.985298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.985298 (E_RNA)
where:
Base-Base interactions energy: -635.388
where: short stacking energy: -254.089
Base-Backbone interact. energy: -1.352
local terms energy: -267.245432
where:
bonds (distance) C4'-P energy: -42.594
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -71.341
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -831.816471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.816471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.816471 (E_RNA)
where:
Base-Base interactions energy: -559.149
where: short stacking energy: -256.071
Base-Backbone interact. energy: -1.450
local terms energy: -271.217758
where:
bonds (distance) C4'-P energy: -52.060
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -64.669
flat angles P-C4'-P energy: -37.878
tors. eta vs tors. theta energy: -74.137
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: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -851.555031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.555031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.555031 (E_RNA)
where:
Base-Base interactions energy: -596.491
where: short stacking energy: -245.728
Base-Backbone interact. energy: -1.786
local terms energy: -253.277732
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -43.339
flat angles C4'-P-C4' energy: -57.855
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -66.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -723.507563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.507563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.507563 (E_RNA)
where:
Base-Base interactions energy: -479.913
where: short stacking energy: -210.649
Base-Backbone interact. energy: 0.613
local terms energy: -244.207540
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -37.017
tors. eta vs tors. theta energy: -56.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -732.138655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.138655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.138655 (E_RNA)
where:
Base-Base interactions energy: -492.738
where: short stacking energy: -225.935
Base-Backbone interact. energy: -1.056
local terms energy: -238.344507
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -48.268
flat angles C4'-P-C4' energy: -62.930
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -59.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -655.517157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.517157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.517157 (E_RNA)
where:
Base-Base interactions energy: -447.056
where: short stacking energy: -191.348
Base-Backbone interact. energy: 0.728
local terms energy: -209.189709
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -50.936
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -49.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -572.212912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.212912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.212912 (E_RNA)
where:
Base-Base interactions energy: -356.214
where: short stacking energy: -156.861
Base-Backbone interact. energy: -1.045
local terms energy: -214.954118
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -48.169
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -256.287256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.287256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.287256 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -83.451
Base-Backbone interact. energy: 0.623
local terms energy: -138.234589
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -45.671
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -279.970465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.970465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.970465 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -77.336
Base-Backbone interact. energy: 1.300
local terms energy: -159.969820
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -29.799
tors. eta vs tors. theta energy: 6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -906.155841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.155841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.155841 (E_RNA)
where:
Base-Base interactions energy: -623.599
where: short stacking energy: -283.125
Base-Backbone interact. energy: 0.055
local terms energy: -282.611559
where:
bonds (distance) C4'-P energy: -49.312
bonds (distance) P-C4' energy: -52.819
flat angles C4'-P-C4' energy: -56.449
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -80.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -903.551466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.551466 (E_RNA)
where:
Base-Base interactions energy: -621.400
where: short stacking energy: -242.110
Base-Backbone interact. energy: 1.179
local terms energy: -283.330688
where:
bonds (distance) C4'-P energy: -48.779
bonds (distance) P-C4' energy: -59.952
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -76.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -821.200911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.200911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.200911 (E_RNA)
where:
Base-Base interactions energy: -566.539
where: short stacking energy: -248.179
Base-Backbone interact. energy: -1.212
local terms energy: -253.449687
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -46.723
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -69.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -844.361827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.361827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.361827 (E_RNA)
where:
Base-Base interactions energy: -576.322
where: short stacking energy: -233.567
Base-Backbone interact. energy: -0.935
local terms energy: -267.104818
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -46.148
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -63.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -715.636791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.636791 (E_RNA)
where:
Base-Base interactions energy: -491.663
where: short stacking energy: -213.333
Base-Backbone interact. energy: 3.322
local terms energy: -227.296532
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -50.727
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -50.229
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: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -720.934964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.934964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.934964 (E_RNA)
where:
Base-Base interactions energy: -497.184
where: short stacking energy: -221.801
Base-Backbone interact. energy: -0.805
local terms energy: -222.945996
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -41.930
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -34.157
tors. eta vs tors. theta energy: -58.299
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -611.444417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.444417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.444417 (E_RNA)
where:
Base-Base interactions energy: -414.078
where: short stacking energy: -167.154
Base-Backbone interact. energy: -0.855
local terms energy: -196.511401
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -40.219
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -37.012
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -538.919147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.919147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.919147 (E_RNA)
where:
Base-Base interactions energy: -356.720
where: short stacking energy: -159.346
Base-Backbone interact. energy: -2.319
local terms energy: -179.879728
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -32.291
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -31.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -243.997180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.997180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.997180 (E_RNA)
where:
Base-Base interactions energy: -93.220
where: short stacking energy: -85.706
Base-Backbone interact. energy: 0.526
local terms energy: -151.302812
where:
bonds (distance) C4'-P energy: -48.574
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -288.932479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.932479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.932479 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.590
local terms energy: -151.712100
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -912.134909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.134909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.134909 (E_RNA)
where:
Base-Base interactions energy: -618.991
where: short stacking energy: -274.400
Base-Backbone interact. energy: 0.803
local terms energy: -293.947027
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -83.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -904.115262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.115262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.115262 (E_RNA)
where:
Base-Base interactions energy: -640.557
where: short stacking energy: -254.102
Base-Backbone interact. energy: -1.973
local terms energy: -261.584947
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -60.896
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -70.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -870.523616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.523616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.523616 (E_RNA)
where:
Base-Base interactions energy: -601.242
where: short stacking energy: -254.802
Base-Backbone interact. energy: -1.766
local terms energy: -267.515406
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -48.033
tors. eta vs tors. theta energy: -63.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -773.027638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.027638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.027638 (E_RNA)
where:
Base-Base interactions energy: -524.780
where: short stacking energy: -226.900
Base-Backbone interact. energy: 1.293
local terms energy: -249.540040
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -50.667
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -62.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -710.103061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.103061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.103061 (E_RNA)
where:
Base-Base interactions energy: -471.164
where: short stacking energy: -198.982
Base-Backbone interact. energy: -1.556
local terms energy: -237.383020
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -48.964
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -54.603
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: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -707.835167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.835167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.835167 (E_RNA)
where:
Base-Base interactions energy: -472.892
where: short stacking energy: -213.802
Base-Backbone interact. energy: -0.497
local terms energy: -234.445860
where:
bonds (distance) C4'-P energy: -39.458
bonds (distance) P-C4' energy: -52.474
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -55.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -654.850435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.850435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.850435 (E_RNA)
where:
Base-Base interactions energy: -435.025
where: short stacking energy: -192.085
Base-Backbone interact. energy: -2.367
local terms energy: -217.458997
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -515.641160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.641160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.641160 (E_RNA)
where:
Base-Base interactions energy: -337.108
where: short stacking energy: -152.552
Base-Backbone interact. energy: 1.055
local terms energy: -179.588154
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -42.998
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -321.385305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.385305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.385305 (E_RNA)
where:
Base-Base interactions energy: -166.425
where: short stacking energy: -87.119
Base-Backbone interact. energy: -0.433
local terms energy: -154.527550
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -45.430
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -225.816881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816881 (E_RNA)
where:
Base-Base interactions energy: -77.050
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.678
local terms energy: -148.089169
where:
bonds (distance) C4'-P energy: -40.513
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -916.602308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.602308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.602308 (E_RNA)
where:
Base-Base interactions energy: -628.012
where: short stacking energy: -284.612
Base-Backbone interact. energy: -1.034
local terms energy: -287.555945
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -58.586
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -82.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -893.191831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.191831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.191831 (E_RNA)
where:
Base-Base interactions energy: -629.559
where: short stacking energy: -261.609
Base-Backbone interact. energy: -0.010
local terms energy: -263.622613
where:
bonds (distance) C4'-P energy: -46.886
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -70.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -861.902931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.902931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.902931 (E_RNA)
where:
Base-Base interactions energy: -592.036
where: short stacking energy: -230.988
Base-Backbone interact. energy: 0.972
local terms energy: -270.839765
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -56.769
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -44.647
tors. eta vs tors. theta energy: -62.207
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -761.919187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.919187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.919187 (E_RNA)
where:
Base-Base interactions energy: -507.470
where: short stacking energy: -234.996
Base-Backbone interact. energy: -1.091
local terms energy: -253.358230
where:
bonds (distance) C4'-P energy: -43.893
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: -63.972
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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -699.748469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.748469 (E_RNA)
where:
Base-Base interactions energy: -473.429
where: short stacking energy: -201.739
Base-Backbone interact. energy: 1.148
local terms energy: -227.467095
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -50.832
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: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -658.669849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.669849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.669849 (E_RNA)
where:
Base-Base interactions energy: -440.038
where: short stacking energy: -197.381
Base-Backbone interact. energy: 0.972
local terms energy: -219.603921
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -55.225
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -684.418346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.418346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.418346 (E_RNA)
where:
Base-Base interactions energy: -458.812
where: short stacking energy: -196.362
Base-Backbone interact. energy: -0.274
local terms energy: -225.332101
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -40.861
flat angles C4'-P-C4' energy: -54.711
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -493.747257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.747257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.747257 (E_RNA)
where:
Base-Base interactions energy: -311.638
where: short stacking energy: -141.000
Base-Backbone interact. energy: -1.743
local terms energy: -180.366347
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -40.383
flat angles C4'-P-C4' energy: -41.682
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -315.193884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.193884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.193884 (E_RNA)
where:
Base-Base interactions energy: -138.245
where: short stacking energy: -87.979
Base-Backbone interact. energy: 1.639
local terms energy: -178.588117
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -0.101
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: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -222.385248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.385248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.385248 (E_RNA)
where:
Base-Base interactions energy: -89.072
where: short stacking energy: -58.435
Base-Backbone interact. energy: -3.010
local terms energy: -130.303755
where:
bonds (distance) C4'-P energy: -41.798
bonds (distance) P-C4' energy: -57.046
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: 11.668
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: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -914.861805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.861805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.861805 (E_RNA)
where:
Base-Base interactions energy: -625.588
where: short stacking energy: -275.009
Base-Backbone interact. energy: -0.215
local terms energy: -289.058660
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -55.980
flat angles P-C4'-P energy: -38.638
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: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -870.493566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.493566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.493566 (E_RNA)
where:
Base-Base interactions energy: -601.438
where: short stacking energy: -241.427
Base-Backbone interact. energy: -1.388
local terms energy: -267.667867
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -57.885
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -71.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -844.162198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.162198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.162198 (E_RNA)
where:
Base-Base interactions energy: -587.976
where: short stacking energy: -249.032
Base-Backbone interact. energy: -0.679
local terms energy: -255.507439
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -56.127
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: -59.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -743.488674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.488674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.488674 (E_RNA)
where:
Base-Base interactions energy: -501.054
where: short stacking energy: -221.843
Base-Backbone interact. energy: -0.518
local terms energy: -241.916824
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -50.866
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -63.743
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: 406
Temperature: 1.100000
Total energy: -705.674704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.674704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.674704 (E_RNA)
where:
Base-Base interactions energy: -470.600
where: short stacking energy: -214.366
Base-Backbone interact. energy: -1.441
local terms energy: -233.633293
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -50.593
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -53.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -662.261004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.261004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.261004 (E_RNA)
where:
Base-Base interactions energy: -426.984
where: short stacking energy: -182.422
Base-Backbone interact. energy: 0.514
local terms energy: -235.791490
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -50.404
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: -47.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -674.391458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.391458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.391458 (E_RNA)
where:
Base-Base interactions energy: -444.649
where: short stacking energy: -198.704
Base-Backbone interact. energy: -2.023
local terms energy: -227.719217
where:
bonds (distance) C4'-P energy: -54.741
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -53.086
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -499.362128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.362128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.362128 (E_RNA)
where:
Base-Base interactions energy: -310.475
where: short stacking energy: -136.629
Base-Backbone interact. energy: -1.906
local terms energy: -186.981711
where:
bonds (distance) C4'-P energy: -40.462
bonds (distance) P-C4' energy: -51.249
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -334.185897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.185897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.185897 (E_RNA)
where:
Base-Base interactions energy: -196.101
where: short stacking energy: -85.772
Base-Backbone interact. energy: 1.443
local terms energy: -139.528391
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -30.586
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -230.438690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.438690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.438690 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -78.338
Base-Backbone interact. energy: -0.419
local terms energy: -138.682856
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -38.545
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -2.311
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: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -907.921064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.921064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.921064 (E_RNA)
where:
Base-Base interactions energy: -620.863
where: short stacking energy: -274.671
Base-Backbone interact. energy: 0.425
local terms energy: -287.482568
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -59.535
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -82.987
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -873.617514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.617514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.617514 (E_RNA)
where:
Base-Base interactions energy: -605.045
where: short stacking energy: -271.587
Base-Backbone interact. energy: -2.072
local terms energy: -266.499741
where:
bonds (distance) C4'-P energy: -46.477
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -60.775
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -74.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -826.420408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.420408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.420408 (E_RNA)
where:
Base-Base interactions energy: -578.615
where: short stacking energy: -242.144
Base-Backbone interact. energy: -2.685
local terms energy: -245.119950
where:
bonds (distance) C4'-P energy: -49.718
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -58.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -729.351134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.351134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.351134 (E_RNA)
where:
Base-Base interactions energy: -490.347
where: short stacking energy: -208.463
Base-Backbone interact. energy: -1.819
local terms energy: -237.184845
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -57.493
flat angles C4'-P-C4' energy: -54.823
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -736.600874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.600874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.600874 (E_RNA)
where:
Base-Base interactions energy: -491.342
where: short stacking energy: -216.729
Base-Backbone interact. energy: -0.400
local terms energy: -244.858484
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -58.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -693.892985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.892985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.892985 (E_RNA)
where:
Base-Base interactions energy: -471.515
where: short stacking energy: -186.490
Base-Backbone interact. energy: -1.270
local terms energy: -221.107886
where:
bonds (distance) C4'-P energy: -53.429
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -47.065
flat angles P-C4'-P energy: -33.727
tors. eta vs tors. theta energy: -38.991
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: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -640.243560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.243560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.243560 (E_RNA)
where:
Base-Base interactions energy: -425.836
where: short stacking energy: -198.008
Base-Backbone interact. energy: -2.625
local terms energy: -211.783141
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -50.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -532.746288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.746288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.746288 (E_RNA)
where:
Base-Base interactions energy: -342.154
where: short stacking energy: -148.290
Base-Backbone interact. energy: 0.971
local terms energy: -191.562844
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -37.153
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -34.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -289.399016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.399016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.399016 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -89.015
Base-Backbone interact. energy: -0.697
local terms energy: -143.517883
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: 8.315
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: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -246.411213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.411213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.411213 (E_RNA)
where:
Base-Base interactions energy: -90.463
where: short stacking energy: -80.370
Base-Backbone interact. energy: -0.991
local terms energy: -154.957202
where:
bonds (distance) C4'-P energy: -38.129
bonds (distance) P-C4' energy: -44.533
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -9.412
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: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -890.003874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.003874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.003874 (E_RNA)
where:
Base-Base interactions energy: -599.211
where: short stacking energy: -272.400
Base-Backbone interact. energy: -1.329
local terms energy: -289.463460
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: -80.800
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -871.091068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.091068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.091068 (E_RNA)
where:
Base-Base interactions energy: -597.398
where: short stacking energy: -274.923
Base-Backbone interact. energy: 0.702
local terms energy: -274.394976
where:
bonds (distance) C4'-P energy: -47.206
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -41.811
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: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -788.917909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.917909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.917909 (E_RNA)
where:
Base-Base interactions energy: -534.105
where: short stacking energy: -237.663
Base-Backbone interact. energy: -2.907
local terms energy: -251.905406
where:
bonds (distance) C4'-P energy: -52.095
bonds (distance) P-C4' energy: -53.180
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -63.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -841.040083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.040083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.040083 (E_RNA)
where:
Base-Base interactions energy: -585.384
where: short stacking energy: -228.932
Base-Backbone interact. energy: -0.230
local terms energy: -255.426175
where:
bonds (distance) C4'-P energy: -39.660
bonds (distance) P-C4' energy: -51.905
flat angles C4'-P-C4' energy: -57.180
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -70.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -713.336461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.336461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.336461 (E_RNA)
where:
Base-Base interactions energy: -472.507
where: short stacking energy: -209.605
Base-Backbone interact. energy: -0.718
local terms energy: -240.111030
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -49.300
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -52.190
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -680.175394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.175394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.175394 (E_RNA)
where:
Base-Base interactions energy: -472.039
where: short stacking energy: -209.362
Base-Backbone interact. energy: 0.265
local terms energy: -208.402211
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -55.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -659.389685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.389685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.389685 (E_RNA)
where:
Base-Base interactions energy: -439.566
where: short stacking energy: -201.629
Base-Backbone interact. energy: -0.093
local terms energy: -219.729925
where:
bonds (distance) C4'-P energy: -40.381
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -53.747
flat angles P-C4'-P energy: -35.465
tors. eta vs tors. theta energy: -54.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -537.038564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.038564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.038564 (E_RNA)
where:
Base-Base interactions energy: -345.450
where: short stacking energy: -145.371
Base-Backbone interact. energy: -1.661
local terms energy: -189.927537
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -29.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -324.447172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.447172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.447172 (E_RNA)
where:
Base-Base interactions energy: -160.334
where: short stacking energy: -112.784
Base-Backbone interact. energy: 0.279
local terms energy: -164.392183
where:
bonds (distance) C4'-P energy: -49.979
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -227.987337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987337 (E_RNA)
where:
Base-Base interactions energy: -74.419
where: short stacking energy: -64.765
Base-Backbone interact. energy: -1.247
local terms energy: -152.321223
where:
bonds (distance) C4'-P energy: -53.455
bonds (distance) P-C4' energy: -48.015
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: 5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -905.270312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.270312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.270312 (E_RNA)
where:
Base-Base interactions energy: -615.702
where: short stacking energy: -284.575
Base-Backbone interact. energy: -0.065
local terms energy: -289.503322
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -85.469
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: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -873.297448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.297448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.297448 (E_RNA)
where:
Base-Base interactions energy: -599.544
where: short stacking energy: -272.282
Base-Backbone interact. energy: -0.435
local terms energy: -273.318685
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -68.806
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: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -774.728600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.728600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.728600 (E_RNA)
where:
Base-Base interactions energy: -520.767
where: short stacking energy: -227.869
Base-Backbone interact. energy: 1.089
local terms energy: -255.050258
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -53.769
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: -60.745
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: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -837.486222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.486222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.486222 (E_RNA)
where:
Base-Base interactions energy: -579.209
where: short stacking energy: -228.392
Base-Backbone interact. energy: 3.758
local terms energy: -262.035517
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -68.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -766.204736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.204736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.204736 (E_RNA)
where:
Base-Base interactions energy: -528.146
where: short stacking energy: -229.801
Base-Backbone interact. energy: 4.955
local terms energy: -243.013309
where:
bonds (distance) C4'-P energy: -42.701
bonds (distance) P-C4' energy: -50.579
flat angles C4'-P-C4' energy: -51.959
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -66.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -746.116052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.116052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.116052 (E_RNA)
where:
Base-Base interactions energy: -504.048
where: short stacking energy: -220.754
Base-Backbone interact. energy: -0.327
local terms energy: -241.740976
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -56.854
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -53.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -645.780224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.780224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.780224 (E_RNA)
where:
Base-Base interactions energy: -429.172
where: short stacking energy: -182.735
Base-Backbone interact. energy: -1.054
local terms energy: -215.555020
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -45.348
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: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -536.143658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.143658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.143658 (E_RNA)
where:
Base-Base interactions energy: -337.558
where: short stacking energy: -166.113
Base-Backbone interact. energy: 0.134
local terms energy: -198.720082
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -302.174055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.174055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.174055 (E_RNA)
where:
Base-Base interactions energy: -154.525
where: short stacking energy: -89.091
Base-Backbone interact. energy: 2.110
local terms energy: -149.758879
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -44.867
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -0.164
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -302.072076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.072076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.072076 (E_RNA)
where:
Base-Base interactions energy: -150.912
where: short stacking energy: -94.516
Base-Backbone interact. energy: 1.843
local terms energy: -153.002273
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -35.394
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -905.116279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.116279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.116279 (E_RNA)
where:
Base-Base interactions energy: -636.169
where: short stacking energy: -270.596
Base-Backbone interact. energy: -0.032
local terms energy: -268.914796
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -73.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -898.557673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.557673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.557673 (E_RNA)
where:
Base-Base interactions energy: -617.647
where: short stacking energy: -283.860
Base-Backbone interact. energy: -0.833
local terms energy: -280.077270
where:
bonds (distance) C4'-P energy: -40.789
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -83.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -866.588126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.588126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.588126 (E_RNA)
where:
Base-Base interactions energy: -588.036
where: short stacking energy: -251.307
Base-Backbone interact. energy: -1.094
local terms energy: -277.458116
where:
bonds (distance) C4'-P energy: -46.558
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -59.580
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -73.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -764.358285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.358285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.358285 (E_RNA)
where:
Base-Base interactions energy: -518.859
where: short stacking energy: -227.560
Base-Backbone interact. energy: -2.644
local terms energy: -242.855595
where:
bonds (distance) C4'-P energy: -52.599
bonds (distance) P-C4' energy: -49.167
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -52.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -748.905350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.905350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.905350 (E_RNA)
where:
Base-Base interactions energy: -514.413
where: short stacking energy: -231.986
Base-Backbone interact. energy: 0.143
local terms energy: -234.635935
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -50.047
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -62.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -713.340146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.340146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.340146 (E_RNA)
where:
Base-Base interactions energy: -487.032
where: short stacking energy: -221.540
Base-Backbone interact. energy: 2.626
local terms energy: -228.934604
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -55.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -600.215994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.215994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.215994 (E_RNA)
where:
Base-Base interactions energy: -391.592
where: short stacking energy: -161.631
Base-Backbone interact. energy: 1.571
local terms energy: -210.194614
where:
bonds (distance) C4'-P energy: -47.960
bonds (distance) P-C4' energy: -45.216
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -560.359709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.359709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.359709 (E_RNA)
where:
Base-Base interactions energy: -371.488
where: short stacking energy: -159.158
Base-Backbone interact. energy: -1.309
local terms energy: -187.563426
where:
bonds (distance) C4'-P energy: -39.237
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -31.451
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: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -339.731762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.731762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.731762 (E_RNA)
where:
Base-Base interactions energy: -179.805
where: short stacking energy: -90.216
Base-Backbone interact. energy: -0.884
local terms energy: -159.042225
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -8.683
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -277.846624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.846624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.846624 (E_RNA)
where:
Base-Base interactions energy: -133.455
where: short stacking energy: -76.724
Base-Backbone interact. energy: -1.876
local terms energy: -142.515933
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -45.895
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: 2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -902.935286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.935286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.935286 (E_RNA)
where:
Base-Base interactions energy: -617.649
where: short stacking energy: -276.842
Base-Backbone interact. energy: -1.429
local terms energy: -283.856771
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -57.892
flat angles C4'-P-C4' energy: -56.576
flat angles P-C4'-P energy: -38.905
tors. eta vs tors. theta energy: -79.177
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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -873.934391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.934391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.934391 (E_RNA)
where:
Base-Base interactions energy: -621.251
where: short stacking energy: -258.095
Base-Backbone interact. energy: -2.137
local terms energy: -250.545823
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -53.076
flat angles P-C4'-P energy: -39.293
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: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -878.184783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.184783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.184783 (E_RNA)
where:
Base-Base interactions energy: -603.915
where: short stacking energy: -277.249
Base-Backbone interact. energy: -0.783
local terms energy: -273.487336
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -48.646
flat angles C4'-P-C4' energy: -60.551
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -80.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -791.748473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.748473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.748473 (E_RNA)
where:
Base-Base interactions energy: -535.436
where: short stacking energy: -261.673
Base-Backbone interact. energy: -0.267
local terms energy: -256.044967
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -66.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -717.632604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.632604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.632604 (E_RNA)
where:
Base-Base interactions energy: -477.656
where: short stacking energy: -212.898
Base-Backbone interact. energy: -0.985
local terms energy: -238.991529
where:
bonds (distance) C4'-P energy: -55.779
bonds (distance) P-C4' energy: -36.803
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -62.980
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: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -690.106953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.106953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.106953 (E_RNA)
where:
Base-Base interactions energy: -480.244
where: short stacking energy: -202.635
Base-Backbone interact. energy: 1.065
local terms energy: -210.927605
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -46.466
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -623.302399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.302399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.302399 (E_RNA)
where:
Base-Base interactions energy: -414.149
where: short stacking energy: -176.706
Base-Backbone interact. energy: -2.067
local terms energy: -207.086161
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -50.949
flat angles C4'-P-C4' energy: -51.283
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -39.144
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: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -588.364583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.364583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.364583 (E_RNA)
where:
Base-Base interactions energy: -389.245
where: short stacking energy: -167.629
Base-Backbone interact. energy: -1.352
local terms energy: -197.767628
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -51.171
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: -45.977
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -304.247348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.247348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.247348 (E_RNA)
where:
Base-Base interactions energy: -149.376
where: short stacking energy: -97.968
Base-Backbone interact. energy: -1.557
local terms energy: -153.314263
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -12.416
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -339.188382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.188382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.188382 (E_RNA)
where:
Base-Base interactions energy: -204.519
where: short stacking energy: -105.413
Base-Backbone interact. energy: 2.614
local terms energy: -137.283923
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -40.440
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -0.746
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: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -929.935142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.935142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.935142 (E_RNA)
where:
Base-Base interactions energy: -641.014
where: short stacking energy: -270.103
Base-Backbone interact. energy: -1.751
local terms energy: -287.169956
where:
bonds (distance) C4'-P energy: -53.287
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -40.853
tors. eta vs tors. theta energy: -71.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -873.319801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.319801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.319801 (E_RNA)
where:
Base-Base interactions energy: -611.544
where: short stacking energy: -271.535
Base-Backbone interact. energy: -0.666
local terms energy: -261.109813
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -51.049
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -68.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -839.837253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.837253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.837253 (E_RNA)
where:
Base-Base interactions energy: -577.042
where: short stacking energy: -257.309
Base-Backbone interact. energy: -0.516
local terms energy: -262.278607
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -56.387
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -77.158
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: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -775.293235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.293235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.293235 (E_RNA)
where:
Base-Base interactions energy: -515.515
where: short stacking energy: -236.155
Base-Backbone interact. energy: -0.160
local terms energy: -259.618688
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -51.191
flat angles C4'-P-C4' energy: -50.893
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: -72.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -720.797180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.797180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.797180 (E_RNA)
where:
Base-Base interactions energy: -474.334
where: short stacking energy: -210.157
Base-Backbone interact. energy: 0.794
local terms energy: -247.256744
where:
bonds (distance) C4'-P energy: -50.585
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -55.514
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -58.527
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -717.694216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.694216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.694216 (E_RNA)
where:
Base-Base interactions energy: -502.683
where: short stacking energy: -221.547
Base-Backbone interact. energy: -1.093
local terms energy: -213.918025
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -47.359
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -57.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -632.418001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.418001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.418001 (E_RNA)
where:
Base-Base interactions energy: -424.603
where: short stacking energy: -188.541
Base-Backbone interact. energy: 0.564
local terms energy: -208.378500
where:
bonds (distance) C4'-P energy: -44.078
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -50.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -545.632894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.632894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.632894 (E_RNA)
where:
Base-Base interactions energy: -359.142
where: short stacking energy: -156.050
Base-Backbone interact. energy: 1.119
local terms energy: -187.609568
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -356.136232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.136232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.136232 (E_RNA)
where:
Base-Base interactions energy: -210.379
where: short stacking energy: -115.102
Base-Backbone interact. energy: -1.275
local terms energy: -144.481621
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -40.829
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -251.398139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.398139 (E_RNA)
where:
Base-Base interactions energy: -95.714
where: short stacking energy: -42.679
Base-Backbone interact. energy: 0.032
local terms energy: -155.716319
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: 5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -926.949344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.949344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.949344 (E_RNA)
where:
Base-Base interactions energy: -647.561
where: short stacking energy: -271.187
Base-Backbone interact. energy: 0.712
local terms energy: -280.100524
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -58.938
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -70.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -884.376102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.376102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.376102 (E_RNA)
where:
Base-Base interactions energy: -610.519
where: short stacking energy: -260.417
Base-Backbone interact. energy: 0.357
local terms energy: -274.214148
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -72.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -835.004551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.004551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.004551 (E_RNA)
where:
Base-Base interactions energy: -569.393
where: short stacking energy: -254.482
Base-Backbone interact. energy: 1.062
local terms energy: -266.673543
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -37.058
tors. eta vs tors. theta energy: -77.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -741.131459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.131459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.131459 (E_RNA)
where:
Base-Base interactions energy: -491.830
where: short stacking energy: -214.697
Base-Backbone interact. energy: -0.718
local terms energy: -248.582845
where:
bonds (distance) C4'-P energy: -59.604
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -33.252
tors. eta vs tors. theta energy: -52.370
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: 413
Temperature: 1.100000
Total energy: -759.911538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.911538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.911538 (E_RNA)
where:
Base-Base interactions energy: -521.209
where: short stacking energy: -237.041
Base-Backbone interact. energy: -0.311
local terms energy: -238.390953
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -52.748
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -63.422
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: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -708.832603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.832603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.832603 (E_RNA)
where:
Base-Base interactions energy: -465.780
where: short stacking energy: -210.428
Base-Backbone interact. energy: -1.140
local terms energy: -241.912259
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -49.214
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -49.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -591.828051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.828051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.828051 (E_RNA)
where:
Base-Base interactions energy: -375.945
where: short stacking energy: -170.764
Base-Backbone interact. energy: -2.675
local terms energy: -213.207916
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -42.559
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -570.697186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.697186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.697186 (E_RNA)
where:
Base-Base interactions energy: -376.272
where: short stacking energy: -174.167
Base-Backbone interact. energy: -1.083
local terms energy: -193.341938
where:
bonds (distance) C4'-P energy: -39.648
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -46.679
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -36.881
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -341.742854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.742854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.742854 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -83.687
Base-Backbone interact. energy: -0.640
local terms energy: -192.386512
where:
bonds (distance) C4'-P energy: -54.288
bonds (distance) P-C4' energy: -56.525
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -215.254988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.254988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.254988 (E_RNA)
where:
Base-Base interactions energy: -68.706
where: short stacking energy: -61.268
Base-Backbone interact. energy: 0.326
local terms energy: -146.874809
where:
bonds (distance) C4'-P energy: -44.839
bonds (distance) P-C4' energy: -42.730
flat angles C4'-P-C4' energy: -35.648
flat angles P-C4'-P energy: -28.394
tors. eta vs tors. theta energy: 4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -930.389405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.389405 (E_RNA)
where:
Base-Base interactions energy: -647.727
where: short stacking energy: -250.561
Base-Backbone interact. energy: -1.440
local terms energy: -281.222704
where:
bonds (distance) C4'-P energy: -59.562
bonds (distance) P-C4' energy: -47.698
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -75.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -884.540422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.540422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.540422 (E_RNA)
where:
Base-Base interactions energy: -602.406
where: short stacking energy: -255.345
Base-Backbone interact. energy: -0.821
local terms energy: -281.312964
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -64.274
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -72.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -853.652374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.652374 (E_RNA)
where:
Base-Base interactions energy: -575.775
where: short stacking energy: -272.779
Base-Backbone interact. energy: -1.113
local terms energy: -276.765124
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -63.834
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -73.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -761.557167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.557167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.557167 (E_RNA)
where:
Base-Base interactions energy: -513.258
where: short stacking energy: -250.352
Base-Backbone interact. energy: -1.003
local terms energy: -247.295685
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -64.437
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: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -760.917547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.917547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.917547 (E_RNA)
where:
Base-Base interactions energy: -510.966
where: short stacking energy: -236.168
Base-Backbone interact. energy: -0.774
local terms energy: -249.177339
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -31.642
tors. eta vs tors. theta energy: -67.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -696.441158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.441158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.441158 (E_RNA)
where:
Base-Base interactions energy: -464.318
where: short stacking energy: -202.721
Base-Backbone interact. energy: -1.361
local terms energy: -230.762083
where:
bonds (distance) C4'-P energy: -39.425
bonds (distance) P-C4' energy: -56.355
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -30.558
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -667.660534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.660534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.660534 (E_RNA)
where:
Base-Base interactions energy: -444.950
where: short stacking energy: -180.357
Base-Backbone interact. energy: -0.397
local terms energy: -222.314163
where:
bonds (distance) C4'-P energy: -42.486
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -56.767
flat angles P-C4'-P energy: -29.728
tors. eta vs tors. theta energy: -50.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -550.953138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.953138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.953138 (E_RNA)
where:
Base-Base interactions energy: -352.011
where: short stacking energy: -166.921
Base-Backbone interact. energy: -1.215
local terms energy: -197.727881
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -322.238740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.238740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.238740 (E_RNA)
where:
Base-Base interactions energy: -166.222
where: short stacking energy: -101.861
Base-Backbone interact. energy: 4.575
local terms energy: -160.591640
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -37.993
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -9.497
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: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -241.963600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.963600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.963600 (E_RNA)
where:
Base-Base interactions energy: -97.221
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.363
local terms energy: -144.380335
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: 2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -915.120389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.120389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.120389 (E_RNA)
where:
Base-Base interactions energy: -640.421
where: short stacking energy: -252.039
Base-Backbone interact. energy: -0.115
local terms energy: -274.584272
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -59.217
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -39.373
tors. eta vs tors. theta energy: -72.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -882.249587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.249587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.249587 (E_RNA)
where:
Base-Base interactions energy: -606.957
where: short stacking energy: -273.683
Base-Backbone interact. energy: -1.010
local terms energy: -274.282728
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -57.206
flat angles P-C4'-P energy: -36.053
tors. eta vs tors. theta energy: -74.115
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -851.752749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.752749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.752749 (E_RNA)
where:
Base-Base interactions energy: -586.051
where: short stacking energy: -251.254
Base-Backbone interact. energy: -0.645
local terms energy: -265.056611
where:
bonds (distance) C4'-P energy: -46.729
bonds (distance) P-C4' energy: -48.292
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -77.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -769.222718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.222718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.222718 (E_RNA)
where:
Base-Base interactions energy: -497.543
where: short stacking energy: -224.626
Base-Backbone interact. energy: -0.908
local terms energy: -270.771865
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -55.552
flat angles C4'-P-C4' energy: -50.641
flat angles P-C4'-P energy: -44.190
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: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -709.386078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.386078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.386078 (E_RNA)
where:
Base-Base interactions energy: -482.177
where: short stacking energy: -220.853
Base-Backbone interact. energy: 2.225
local terms energy: -229.433489
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: -51.460
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: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -718.956677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.956677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.956677 (E_RNA)
where:
Base-Base interactions energy: -497.769
where: short stacking energy: -192.155
Base-Backbone interact. energy: 0.012
local terms energy: -221.199673
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -64.458
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -44.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -689.273176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.273176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.273176 (E_RNA)
where:
Base-Base interactions energy: -456.812
where: short stacking energy: -207.320
Base-Backbone interact. energy: -0.329
local terms energy: -232.133073
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -53.942
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -51.300
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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -549.082175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.082175 (E_RNA)
where:
Base-Base interactions energy: -360.377
where: short stacking energy: -169.372
Base-Backbone interact. energy: 1.966
local terms energy: -190.670748
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -41.142
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -324.917917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.917917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.917917 (E_RNA)
where:
Base-Base interactions energy: -177.939
where: short stacking energy: -112.352
Base-Backbone interact. energy: -0.701
local terms energy: -146.277909
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -33.945
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -225.753691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.753691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.753691 (E_RNA)
where:
Base-Base interactions energy: -64.810
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.545
local terms energy: -160.398459
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -50.027
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: 5.197
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: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -927.079546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.079546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.079546 (E_RNA)
where:
Base-Base interactions energy: -660.229
where: short stacking energy: -280.235
Base-Backbone interact. energy: -0.503
local terms energy: -266.348169
where:
bonds (distance) C4'-P energy: -42.207
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -37.826
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: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -873.096304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.096304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.096304 (E_RNA)
where:
Base-Base interactions energy: -612.459
where: short stacking energy: -261.908
Base-Backbone interact. energy: 1.097
local terms energy: -261.734050
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -63.076
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -72.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -842.136253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.136253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.136253 (E_RNA)
where:
Base-Base interactions energy: -581.549
where: short stacking energy: -255.197
Base-Backbone interact. energy: -2.869
local terms energy: -257.718313
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -74.232
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: 416
Temperature: 1.050000
Total energy: -781.509263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.509263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.509263 (E_RNA)
where:
Base-Base interactions energy: -534.410
where: short stacking energy: -232.333
Base-Backbone interact. energy: -1.277
local terms energy: -245.822257
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -51.827
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -64.734
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: 416
Temperature: 1.100000
Total energy: -742.651617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.651617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.651617 (E_RNA)
where:
Base-Base interactions energy: -506.090
where: short stacking energy: -223.311
Base-Backbone interact. energy: -1.556
local terms energy: -235.005940
where:
bonds (distance) C4'-P energy: -46.124
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -51.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -695.859967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.859967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.859967 (E_RNA)
where:
Base-Base interactions energy: -454.968
where: short stacking energy: -192.976
Base-Backbone interact. energy: -1.574
local terms energy: -239.317392
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -42.465
flat angles C4'-P-C4' energy: -56.318
flat angles P-C4'-P energy: -39.254
tors. eta vs tors. theta energy: -45.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -660.401049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.401049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.401049 (E_RNA)
where:
Base-Base interactions energy: -434.393
where: short stacking energy: -193.906
Base-Backbone interact. energy: -0.667
local terms energy: -225.340832
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -54.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -597.006998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.006998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.006998 (E_RNA)
where:
Base-Base interactions energy: -377.712
where: short stacking energy: -163.992
Base-Backbone interact. energy: -0.797
local terms energy: -218.497698
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -50.600
flat angles P-C4'-P energy: -34.717
tors. eta vs tors. theta energy: -32.462
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: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -309.342591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.342591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.342591 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -103.404
Base-Backbone interact. energy: 0.282
local terms energy: -141.252589
where:
bonds (distance) C4'-P energy: -42.644
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -7.376
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: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -231.760596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.760596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.760596 (E_RNA)
where:
Base-Base interactions energy: -87.969
where: short stacking energy: -82.340
Base-Backbone interact. energy: -1.206
local terms energy: -142.585578
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -7.153
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: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -921.365906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.365906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.365906 (E_RNA)
where:
Base-Base interactions energy: -631.813
where: short stacking energy: -276.793
Base-Backbone interact. energy: -1.405
local terms energy: -288.148094
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -57.543
flat angles C4'-P-C4' energy: -53.966
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -75.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -879.452854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.452854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.452854 (E_RNA)
where:
Base-Base interactions energy: -609.213
where: short stacking energy: -249.412
Base-Backbone interact. energy: 1.513
local terms energy: -271.753241
where:
bonds (distance) C4'-P energy: -52.110
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -58.517
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -73.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -848.440501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.440501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.440501 (E_RNA)
where:
Base-Base interactions energy: -594.303
where: short stacking energy: -253.448
Base-Backbone interact. energy: -0.669
local terms energy: -253.468968
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -53.020
flat angles C4'-P-C4' energy: -50.452
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -65.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -779.869549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.869549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.869549 (E_RNA)
where:
Base-Base interactions energy: -529.364
where: short stacking energy: -256.660
Base-Backbone interact. energy: -0.748
local terms energy: -249.757796
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -57.603
flat angles P-C4'-P energy: -31.493
tors. eta vs tors. theta energy: -66.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -737.536197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.536197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.536197 (E_RNA)
where:
Base-Base interactions energy: -487.604
where: short stacking energy: -219.257
Base-Backbone interact. energy: -1.170
local terms energy: -248.762418
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -54.531
flat angles C4'-P-C4' energy: -53.169
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -64.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -686.906000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.906000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.906000 (E_RNA)
where:
Base-Base interactions energy: -454.188
where: short stacking energy: -201.799
Base-Backbone interact. energy: -0.596
local terms energy: -232.122081
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: -42.989
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: 417
Temperature: 1.200000
Total energy: -684.079582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.079582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.079582 (E_RNA)
where:
Base-Base interactions energy: -457.464
where: short stacking energy: -196.000
Base-Backbone interact. energy: -0.762
local terms energy: -225.852829
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -53.895
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: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -580.312253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.312253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.312253 (E_RNA)
where:
Base-Base interactions energy: -385.976
where: short stacking energy: -166.182
Base-Backbone interact. energy: 5.285
local terms energy: -199.621069
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -29.680
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: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -305.842175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.842175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.842175 (E_RNA)
where:
Base-Base interactions energy: -161.050
where: short stacking energy: -100.256
Base-Backbone interact. energy: 1.629
local terms energy: -146.421162
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -246.812023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.812023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.812023 (E_RNA)
where:
Base-Base interactions energy: -83.463
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.719
local terms energy: -162.629973
where:
bonds (distance) C4'-P energy: -43.473
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -900.417139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.417139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.417139 (E_RNA)
where:
Base-Base interactions energy: -614.301
where: short stacking energy: -270.877
Base-Backbone interact. energy: -0.906
local terms energy: -285.210121
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -54.807
flat angles C4'-P-C4' energy: -62.692
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -66.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -906.003554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.003554 (E_RNA)
where:
Base-Base interactions energy: -622.296
where: short stacking energy: -252.962
Base-Backbone interact. energy: -2.958
local terms energy: -280.749059
where:
bonds (distance) C4'-P energy: -54.255
bonds (distance) P-C4' energy: -48.867
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -857.601653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.601653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.601653 (E_RNA)
where:
Base-Base interactions energy: -594.648
where: short stacking energy: -258.726
Base-Backbone interact. energy: -1.288
local terms energy: -261.664832
where:
bonds (distance) C4'-P energy: -47.735
bonds (distance) P-C4' energy: -55.678
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: -75.465
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: 418
Temperature: 1.050000
Total energy: -753.446701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.446701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.446701 (E_RNA)
where:
Base-Base interactions energy: -499.179
where: short stacking energy: -225.273
Base-Backbone interact. energy: 0.079
local terms energy: -254.346923
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -52.398
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -67.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -745.582357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.582357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.582357 (E_RNA)
where:
Base-Base interactions energy: -491.365
where: short stacking energy: -229.819
Base-Backbone interact. energy: -0.961
local terms energy: -253.255665
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: -67.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -674.315288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.315288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.315288 (E_RNA)
where:
Base-Base interactions energy: -443.839
where: short stacking energy: -187.919
Base-Backbone interact. energy: -0.267
local terms energy: -230.209709
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -49.189
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -53.088
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: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -689.424496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.424496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.424496 (E_RNA)
where:
Base-Base interactions energy: -465.996
where: short stacking energy: -209.679
Base-Backbone interact. energy: 1.871
local terms energy: -225.299171
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -57.638
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -604.353301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.353301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.353301 (E_RNA)
where:
Base-Base interactions energy: -400.671
where: short stacking energy: -187.856
Base-Backbone interact. energy: -0.397
local terms energy: -203.285825
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -45.239
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -43.908
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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -256.446473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.446473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.446473 (E_RNA)
where:
Base-Base interactions energy: -91.781
where: short stacking energy: -77.000
Base-Backbone interact. energy: 3.241
local terms energy: -167.906636
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -1.109
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -284.981321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.981321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.981321 (E_RNA)
where:
Base-Base interactions energy: -135.831
where: short stacking energy: -90.832
Base-Backbone interact. energy: 1.131
local terms energy: -150.281806
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -49.234
flat angles C4'-P-C4' energy: -43.003
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -3.325
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: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -883.621963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.621963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.621963 (E_RNA)
where:
Base-Base interactions energy: -614.410
where: short stacking energy: -247.841
Base-Backbone interact. energy: -0.344
local terms energy: -268.868165
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -71.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -911.852683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.852683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.852683 (E_RNA)
where:
Base-Base interactions energy: -622.843
where: short stacking energy: -259.840
Base-Backbone interact. energy: -0.488
local terms energy: -288.521881
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -56.083
flat angles C4'-P-C4' energy: -59.734
flat angles P-C4'-P energy: -34.591
tors. eta vs tors. theta energy: -79.602
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -830.280474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.280474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.280474 (E_RNA)
where:
Base-Base interactions energy: -562.711
where: short stacking energy: -252.411
Base-Backbone interact. energy: -1.612
local terms energy: -265.957938
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -73.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -744.112788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.112788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.112788 (E_RNA)
where:
Base-Base interactions energy: -500.637
where: short stacking energy: -223.572
Base-Backbone interact. energy: -0.734
local terms energy: -242.741759
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -58.445
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: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -735.103430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.103430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.103430 (E_RNA)
where:
Base-Base interactions energy: -486.335
where: short stacking energy: -226.612
Base-Backbone interact. energy: -1.097
local terms energy: -247.671165
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -53.148
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -58.844
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: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -730.752408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.752408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.752408 (E_RNA)
where:
Base-Base interactions energy: -486.978
where: short stacking energy: -227.538
Base-Backbone interact. energy: 0.690
local terms energy: -244.464990
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -47.479
tors. eta vs tors. theta energy: -59.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -668.275830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.275830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.275830 (E_RNA)
where:
Base-Base interactions energy: -447.163
where: short stacking energy: -184.083
Base-Backbone interact. energy: 1.123
local terms energy: -222.235361
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -45.954
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -580.464009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.464009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.464009 (E_RNA)
where:
Base-Base interactions energy: -376.926
where: short stacking energy: -175.562
Base-Backbone interact. energy: -0.403
local terms energy: -203.134508
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -54.404
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -36.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -237.166994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.166994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.166994 (E_RNA)
where:
Base-Base interactions energy: -89.748
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.202
local terms energy: -147.216960
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -279.683786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.683786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.683786 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.720
local terms energy: -148.327338
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -36.395
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: 2.781
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: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -911.434968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.434968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.434968 (E_RNA)
where:
Base-Base interactions energy: -643.943
where: short stacking energy: -260.927
Base-Backbone interact. energy: -0.343
local terms energy: -267.149284
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -863.836674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.836674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.836674 (E_RNA)
where:
Base-Base interactions energy: -601.508
where: short stacking energy: -261.517
Base-Backbone interact. energy: 4.544
local terms energy: -266.872979
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -67.565
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -831.443094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.443094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.443094 (E_RNA)
where:
Base-Base interactions energy: -565.205
where: short stacking energy: -266.607
Base-Backbone interact. energy: -0.241
local terms energy: -265.997631
where:
bonds (distance) C4'-P energy: -42.689
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -79.482
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: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -781.562446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.562446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.562446 (E_RNA)
where:
Base-Base interactions energy: -515.080
where: short stacking energy: -239.700
Base-Backbone interact. energy: -1.729
local terms energy: -264.753506
where:
bonds (distance) C4'-P energy: -48.934
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -59.252
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -62.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -756.973425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.973425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.973425 (E_RNA)
where:
Base-Base interactions energy: -499.614
where: short stacking energy: -217.331
Base-Backbone interact. energy: -0.654
local terms energy: -256.705265
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -28.455
tors. eta vs tors. theta energy: -70.407
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -738.922199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.922199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.922199 (E_RNA)
where:
Base-Base interactions energy: -493.097
where: short stacking energy: -233.945
Base-Backbone interact. energy: -0.274
local terms energy: -245.551728
where:
bonds (distance) C4'-P energy: -45.333
bonds (distance) P-C4' energy: -44.002
flat angles C4'-P-C4' energy: -52.691
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -69.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -635.696530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.696530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.696530 (E_RNA)
where:
Base-Base interactions energy: -416.106
where: short stacking energy: -189.748
Base-Backbone interact. energy: -0.528
local terms energy: -219.062278
where:
bonds (distance) C4'-P energy: -51.425
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -51.567
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -39.630
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -533.100008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.100008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.100008 (E_RNA)
where:
Base-Base interactions energy: -339.653
where: short stacking energy: -160.099
Base-Backbone interact. energy: 0.535
local terms energy: -193.981823
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -46.059
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -29.690
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: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -296.890520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.890520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.890520 (E_RNA)
where:
Base-Base interactions energy: -144.493
where: short stacking energy: -100.288
Base-Backbone interact. energy: 0.956
local terms energy: -153.354095
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -41.012
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -239.722464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.722464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.722464 (E_RNA)
where:
Base-Base interactions energy: -90.253
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.848
local terms energy: -148.621945
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -50.696
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: 5.437
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: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -917.061977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.061977 (E_RNA)
where:
Base-Base interactions energy: -635.292
where: short stacking energy: -255.037
Base-Backbone interact. energy: -1.122
local terms energy: -280.647855
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -53.135
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -70.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -887.040380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.040380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.040380 (E_RNA)
where:
Base-Base interactions energy: -620.044
where: short stacking energy: -265.854
Base-Backbone interact. energy: -1.959
local terms energy: -265.037277
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -61.793
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: -71.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -804.424734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.424734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.424734 (E_RNA)
where:
Base-Base interactions energy: -549.101
where: short stacking energy: -226.235
Base-Backbone interact. energy: 2.085
local terms energy: -257.408915
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -53.765
flat angles C4'-P-C4' energy: -61.812
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -60.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -798.826658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.826658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.826658 (E_RNA)
where:
Base-Base interactions energy: -534.171
where: short stacking energy: -238.568
Base-Backbone interact. energy: 0.601
local terms energy: -265.257255
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -51.341
flat angles P-C4'-P energy: -41.194
tors. eta vs tors. theta energy: -68.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -765.708974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.708974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.708974 (E_RNA)
where:
Base-Base interactions energy: -517.275
where: short stacking energy: -217.573
Base-Backbone interact. energy: -0.851
local terms energy: -247.583391
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -53.301
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -54.450
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: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -762.250983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.250983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.250983 (E_RNA)
where:
Base-Base interactions energy: -503.754
where: short stacking energy: -234.382
Base-Backbone interact. energy: -1.204
local terms energy: -257.292633
where:
bonds (distance) C4'-P energy: -40.152
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -66.022
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: 421
Temperature: 1.200000
Total energy: -628.172968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.172968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.172968 (E_RNA)
where:
Base-Base interactions energy: -423.473
where: short stacking energy: -175.799
Base-Backbone interact. energy: -1.343
local terms energy: -203.357252
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -44.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -569.877555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.877555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.877555 (E_RNA)
where:
Base-Base interactions energy: -354.487
where: short stacking energy: -169.539
Base-Backbone interact. energy: -0.028
local terms energy: -215.363179
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -341.679791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.679791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.679791 (E_RNA)
where:
Base-Base interactions energy: -178.184
where: short stacking energy: -109.899
Base-Backbone interact. energy: -0.408
local terms energy: -163.088252
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -52.882
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -9.578
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: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -245.406801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.406801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.406801 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -75.315
Base-Backbone interact. energy: -0.378
local terms energy: -147.635716
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -920.496010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.496010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.496010 (E_RNA)
where:
Base-Base interactions energy: -635.208
where: short stacking energy: -263.810
Base-Backbone interact. energy: 1.226
local terms energy: -286.514107
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -55.188
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -68.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -885.525994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.525994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.525994 (E_RNA)
where:
Base-Base interactions energy: -608.392
where: short stacking energy: -259.498
Base-Backbone interact. energy: -2.455
local terms energy: -274.679006
where:
bonds (distance) C4'-P energy: -52.931
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -68.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -829.168331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.168331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.168331 (E_RNA)
where:
Base-Base interactions energy: -573.896
where: short stacking energy: -259.368
Base-Backbone interact. energy: -0.236
local terms energy: -255.035553
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -48.728
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -71.133
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -797.696531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.696531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.696531 (E_RNA)
where:
Base-Base interactions energy: -527.437
where: short stacking energy: -220.104
Base-Backbone interact. energy: -1.129
local terms energy: -269.129890
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -55.147
flat angles P-C4'-P energy: -39.313
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -761.993641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.993641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.993641 (E_RNA)
where:
Base-Base interactions energy: -540.598
where: short stacking energy: -231.575
Base-Backbone interact. energy: 0.465
local terms energy: -221.860600
where:
bonds (distance) C4'-P energy: -43.457
bonds (distance) P-C4' energy: -41.996
flat angles C4'-P-C4' energy: -44.487
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -55.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -720.851970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.851970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.851970 (E_RNA)
where:
Base-Base interactions energy: -478.901
where: short stacking energy: -205.319
Base-Backbone interact. energy: -1.724
local terms energy: -240.227722
where:
bonds (distance) C4'-P energy: -46.056
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -53.051
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -600.873110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.873110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.873110 (E_RNA)
where:
Base-Base interactions energy: -382.350
where: short stacking energy: -170.496
Base-Backbone interact. energy: -0.666
local terms energy: -217.857292
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -602.055574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.055574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.055574 (E_RNA)
where:
Base-Base interactions energy: -395.197
where: short stacking energy: -175.621
Base-Backbone interact. energy: 0.235
local terms energy: -207.093758
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -40.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -334.841071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.841071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.841071 (E_RNA)
where:
Base-Base interactions energy: -170.011
where: short stacking energy: -108.305
Base-Backbone interact. energy: 1.889
local terms energy: -166.719280
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -42.326
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -232.611860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.611860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.611860 (E_RNA)
where:
Base-Base interactions energy: -83.811
where: short stacking energy: -49.274
Base-Backbone interact. energy: 1.050
local terms energy: -149.850681
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -23.950
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -922.637164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.637164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.637164 (E_RNA)
where:
Base-Base interactions energy: -637.185
where: short stacking energy: -275.233
Base-Backbone interact. energy: -0.996
local terms energy: -284.456456
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -73.997
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: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -885.230300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.230300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.230300 (E_RNA)
where:
Base-Base interactions energy: -601.999
where: short stacking energy: -248.775
Base-Backbone interact. energy: -3.232
local terms energy: -279.999126
where:
bonds (distance) C4'-P energy: -52.269
bonds (distance) P-C4' energy: -61.236
flat angles C4'-P-C4' energy: -57.033
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -70.670
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: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -801.356067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.356067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.356067 (E_RNA)
where:
Base-Base interactions energy: -541.859
where: short stacking energy: -262.090
Base-Backbone interact. energy: -0.568
local terms energy: -258.928879
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -61.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -801.874326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.874326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.874326 (E_RNA)
where:
Base-Base interactions energy: -540.263
where: short stacking energy: -241.037
Base-Backbone interact. energy: -0.907
local terms energy: -260.704814
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -60.734
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -70.665
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -785.839762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.839762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.839762 (E_RNA)
where:
Base-Base interactions energy: -539.171
where: short stacking energy: -221.340
Base-Backbone interact. energy: -0.870
local terms energy: -245.798547
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -47.645
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -60.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -678.202155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.202155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.202155 (E_RNA)
where:
Base-Base interactions energy: -457.905
where: short stacking energy: -199.235
Base-Backbone interact. energy: -2.086
local terms energy: -218.211097
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -47.995
flat angles C4'-P-C4' energy: -50.209
flat angles P-C4'-P energy: -32.692
tors. eta vs tors. theta energy: -52.226
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -622.529032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.529032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.529032 (E_RNA)
where:
Base-Base interactions energy: -412.426
where: short stacking energy: -167.465
Base-Backbone interact. energy: -1.611
local terms energy: -208.491126
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -546.512619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.512619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.512619 (E_RNA)
where:
Base-Base interactions energy: -355.796
where: short stacking energy: -160.279
Base-Backbone interact. energy: -0.496
local terms energy: -190.220619
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -37.550
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -35.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -298.965929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.965929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.965929 (E_RNA)
where:
Base-Base interactions energy: -140.884
where: short stacking energy: -82.415
Base-Backbone interact. energy: -0.223
local terms energy: -157.859046
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -34.015
flat angles P-C4'-P energy: -18.002
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: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -232.851806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.851806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.851806 (E_RNA)
where:
Base-Base interactions energy: -84.987
where: short stacking energy: -78.633
Base-Backbone interact. energy: 1.085
local terms energy: -148.949987
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: 4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -926.130124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.130124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.130124 (E_RNA)
where:
Base-Base interactions energy: -655.041
where: short stacking energy: -268.699
Base-Backbone interact. energy: 1.301
local terms energy: -272.390480
where:
bonds (distance) C4'-P energy: -43.841
bonds (distance) P-C4' energy: -56.072
flat angles C4'-P-C4' energy: -58.069
flat angles P-C4'-P energy: -37.584
tors. eta vs tors. theta energy: -76.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -889.445409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.445409 (E_RNA)
where:
Base-Base interactions energy: -623.889
where: short stacking energy: -260.594
Base-Backbone interact. energy: -0.307
local terms energy: -265.249273
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -54.438
flat angles C4'-P-C4' energy: -58.806
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -64.973
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: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -846.468348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.468348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.468348 (E_RNA)
where:
Base-Base interactions energy: -558.376
where: short stacking energy: -247.883
Base-Backbone interact. energy: -0.439
local terms energy: -287.652950
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -60.510
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -70.046
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: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -801.530183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.530183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.530183 (E_RNA)
where:
Base-Base interactions energy: -552.571
where: short stacking energy: -236.243
Base-Backbone interact. energy: -0.661
local terms energy: -248.298227
where:
bonds (distance) C4'-P energy: -45.861
bonds (distance) P-C4' energy: -44.897
flat angles C4'-P-C4' energy: -53.057
flat angles P-C4'-P energy: -37.618
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: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -777.924505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.924505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.924505 (E_RNA)
where:
Base-Base interactions energy: -542.229
where: short stacking energy: -225.639
Base-Backbone interact. energy: -1.129
local terms energy: -234.566639
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -61.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -715.233864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.233864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.233864 (E_RNA)
where:
Base-Base interactions energy: -487.834
where: short stacking energy: -222.377
Base-Backbone interact. energy: -0.303
local terms energy: -227.096893
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -47.670
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -62.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -562.222130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.222130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.222130 (E_RNA)
where:
Base-Base interactions energy: -364.112
where: short stacking energy: -174.825
Base-Backbone interact. energy: -0.336
local terms energy: -197.774454
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -50.777
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -573.861773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.861773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.861773 (E_RNA)
where:
Base-Base interactions energy: -374.290
where: short stacking energy: -155.599
Base-Backbone interact. energy: 5.093
local terms energy: -204.664771
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -50.807
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -35.124
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: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -485.498651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.498651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.498651 (E_RNA)
where:
Base-Base interactions energy: -305.213
where: short stacking energy: -143.129
Base-Backbone interact. energy: 1.585
local terms energy: -181.870121
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -216.461096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.461096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.461096 (E_RNA)
where:
Base-Base interactions energy: -77.133
where: short stacking energy: -68.366
Base-Backbone interact. energy: -1.504
local terms energy: -137.823306
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -37.401
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: 7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -930.348374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.348374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.348374 (E_RNA)
where:
Base-Base interactions energy: -651.654
where: short stacking energy: -254.186
Base-Backbone interact. energy: -2.254
local terms energy: -276.440165
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -71.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -864.445949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.445949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.445949 (E_RNA)
where:
Base-Base interactions energy: -574.304
where: short stacking energy: -272.789
Base-Backbone interact. energy: -0.719
local terms energy: -289.423398
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -77.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -864.215991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.215991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.215991 (E_RNA)
where:
Base-Base interactions energy: -596.429
where: short stacking energy: -248.418
Base-Backbone interact. energy: -0.380
local terms energy: -267.406624
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -66.852
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: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -814.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.285911 (E_RNA)
where:
Base-Base interactions energy: -551.257
where: short stacking energy: -248.757
Base-Backbone interact. energy: -1.971
local terms energy: -261.058538
where:
bonds (distance) C4'-P energy: -58.620
bonds (distance) P-C4' energy: -50.231
flat angles C4'-P-C4' energy: -47.002
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -70.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -769.751271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.751271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.751271 (E_RNA)
where:
Base-Base interactions energy: -519.299
where: short stacking energy: -217.325
Base-Backbone interact. energy: -0.002
local terms energy: -250.450345
where:
bonds (distance) C4'-P energy: -43.419
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -67.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -680.717220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.717220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.717220 (E_RNA)
where:
Base-Base interactions energy: -454.322
where: short stacking energy: -204.874
Base-Backbone interact. energy: -1.351
local terms energy: -225.043325
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -51.078
flat angles P-C4'-P energy: -32.138
tors. eta vs tors. theta energy: -48.330
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -544.200044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.200044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.200044 (E_RNA)
where:
Base-Base interactions energy: -348.836
where: short stacking energy: -149.281
Base-Backbone interact. energy: -0.758
local terms energy: -194.605229
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -51.631
flat angles C4'-P-C4' energy: -47.188
flat angles P-C4'-P energy: -32.054
tors. eta vs tors. theta energy: -23.602
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: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -596.956967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.956967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.956967 (E_RNA)
where:
Base-Base interactions energy: -391.859
where: short stacking energy: -180.729
Base-Backbone interact. energy: 0.339
local terms energy: -205.437050
where:
bonds (distance) C4'-P energy: -42.594
bonds (distance) P-C4' energy: -48.264
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -40.295
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -471.540223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.540223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.540223 (E_RNA)
where:
Base-Base interactions energy: -282.746
where: short stacking energy: -133.424
Base-Backbone interact. energy: -0.769
local terms energy: -188.024798
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -49.673
flat angles C4'-P-C4' energy: -41.217
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -217.792150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.792150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.792150 (E_RNA)
where:
Base-Base interactions energy: -74.827
where: short stacking energy: -60.630
Base-Backbone interact. energy: -1.576
local terms energy: -141.389318
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -40.792
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -915.889292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.889292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.889292 (E_RNA)
where:
Base-Base interactions energy: -636.412
where: short stacking energy: -258.517
Base-Backbone interact. energy: -1.708
local terms energy: -277.768992
where:
bonds (distance) C4'-P energy: -49.262
bonds (distance) P-C4' energy: -62.831
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -69.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -859.764430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.764430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.764430 (E_RNA)
where:
Base-Base interactions energy: -571.381
where: short stacking energy: -262.033
Base-Backbone interact. energy: 1.542
local terms energy: -289.925311
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -55.165
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -76.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -853.673300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.673300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.673300 (E_RNA)
where:
Base-Base interactions energy: -588.755
where: short stacking energy: -272.802
Base-Backbone interact. energy: -0.738
local terms energy: -264.180777
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -45.372
flat angles C4'-P-C4' energy: -52.348
flat angles P-C4'-P energy: -47.515
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -813.476376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.476376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.476376 (E_RNA)
where:
Base-Base interactions energy: -547.891
where: short stacking energy: -251.166
Base-Backbone interact. energy: -1.546
local terms energy: -264.039049
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -58.069
flat angles P-C4'-P energy: -42.173
tors. eta vs tors. theta energy: -68.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -777.070677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.070677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.070677 (E_RNA)
where:
Base-Base interactions energy: -544.284
where: short stacking energy: -223.626
Base-Backbone interact. energy: 0.510
local terms energy: -233.296784
where:
bonds (distance) C4'-P energy: -47.197
bonds (distance) P-C4' energy: -49.472
flat angles C4'-P-C4' energy: -48.315
flat angles P-C4'-P energy: -27.438
tors. eta vs tors. theta energy: -60.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -718.161809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.161809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.161809 (E_RNA)
where:
Base-Base interactions energy: -479.043
where: short stacking energy: -222.419
Base-Backbone interact. energy: -0.634
local terms energy: -238.484921
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -43.601
flat angles C4'-P-C4' energy: -60.335
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -61.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -614.614590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.614590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.614590 (E_RNA)
where:
Base-Base interactions energy: -394.256
where: short stacking energy: -191.652
Base-Backbone interact. energy: -0.858
local terms energy: -219.500337
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -41.155
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -52.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -525.443810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.443810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.443810 (E_RNA)
where:
Base-Base interactions energy: -349.819
where: short stacking energy: -142.625
Base-Backbone interact. energy: 1.414
local terms energy: -177.038388
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -42.078
flat angles C4'-P-C4' energy: -46.553
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -23.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -466.989331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.989331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.989331 (E_RNA)
where:
Base-Base interactions energy: -282.057
where: short stacking energy: -135.350
Base-Backbone interact. energy: 0.131
local terms energy: -185.063180
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -50.728
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -235.251535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.251535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.251535 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -85.521
Base-Backbone interact. energy: -0.534
local terms energy: -123.142883
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -919.306250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.306250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.306250 (E_RNA)
where:
Base-Base interactions energy: -637.976
where: short stacking energy: -260.397
Base-Backbone interact. energy: -2.412
local terms energy: -278.918003
where:
bonds (distance) C4'-P energy: -46.893
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -76.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -885.215848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.215848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.215848 (E_RNA)
where:
Base-Base interactions energy: -598.083
where: short stacking energy: -271.736
Base-Backbone interact. energy: 0.244
local terms energy: -287.377498
where:
bonds (distance) C4'-P energy: -52.112
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -66.175
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -72.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -853.397762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.397762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.397762 (E_RNA)
where:
Base-Base interactions energy: -590.983
where: short stacking energy: -275.005
Base-Backbone interact. energy: -0.418
local terms energy: -261.996109
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -77.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -830.329931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.329931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.329931 (E_RNA)
where:
Base-Base interactions energy: -566.258
where: short stacking energy: -242.651
Base-Backbone interact. energy: -0.467
local terms energy: -263.604799
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -37.279
tors. eta vs tors. theta energy: -66.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -760.310035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.310035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.310035 (E_RNA)
where:
Base-Base interactions energy: -506.344
where: short stacking energy: -218.599
Base-Backbone interact. energy: -1.751
local terms energy: -252.215397
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -48.170
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -65.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -701.507126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.507126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.507126 (E_RNA)
where:
Base-Base interactions energy: -458.405
where: short stacking energy: -209.112
Base-Backbone interact. energy: -0.506
local terms energy: -242.595848
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -61.359
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -53.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -618.743495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.743495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.743495 (E_RNA)
where:
Base-Base interactions energy: -411.480
where: short stacking energy: -185.127
Base-Backbone interact. energy: 0.365
local terms energy: -207.629153
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -39.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -516.710211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.710211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.710211 (E_RNA)
where:
Base-Base interactions energy: -354.952
where: short stacking energy: -143.412
Base-Backbone interact. energy: 0.958
local terms energy: -162.716303
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -429.625489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.625489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.625489 (E_RNA)
where:
Base-Base interactions energy: -269.713
where: short stacking energy: -127.972
Base-Backbone interact. energy: -1.484
local terms energy: -158.428935
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -219.053543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.053543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.053543 (E_RNA)
where:
Base-Base interactions energy: -85.537
where: short stacking energy: -71.525
Base-Backbone interact. energy: 0.033
local terms energy: -133.549502
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -48.595
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: 6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -906.466500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.466500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.466500 (E_RNA)
where:
Base-Base interactions energy: -640.439
where: short stacking energy: -258.085
Base-Backbone interact. energy: 0.999
local terms energy: -267.026294
where:
bonds (distance) C4'-P energy: -42.719
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -72.325
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -856.364041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.364041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.364041 (E_RNA)
where:
Base-Base interactions energy: -584.525
where: short stacking energy: -267.485
Base-Backbone interact. energy: -0.780
local terms energy: -271.058971
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -53.935
flat angles C4'-P-C4' energy: -56.970
flat angles P-C4'-P energy: -37.966
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: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -831.450547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.450547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.450547 (E_RNA)
where:
Base-Base interactions energy: -554.803
where: short stacking energy: -245.575
Base-Backbone interact. energy: -1.204
local terms energy: -275.443356
where:
bonds (distance) C4'-P energy: -47.356
bonds (distance) P-C4' energy: -57.935
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -68.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -819.139768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.139768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.139768 (E_RNA)
where:
Base-Base interactions energy: -554.373
where: short stacking energy: -248.655
Base-Backbone interact. energy: -0.491
local terms energy: -264.275483
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -50.098
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -64.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -753.958180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.958180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.958180 (E_RNA)
where:
Base-Base interactions energy: -518.929
where: short stacking energy: -219.373
Base-Backbone interact. energy: -1.351
local terms energy: -233.678718
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -56.366
flat angles P-C4'-P energy: -38.997
tors. eta vs tors. theta energy: -56.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -681.243641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.243641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.243641 (E_RNA)
where:
Base-Base interactions energy: -453.865
where: short stacking energy: -188.808
Base-Backbone interact. energy: -0.810
local terms energy: -226.568793
where:
bonds (distance) C4'-P energy: -43.344
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -48.112
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: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -597.449089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.449089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.449089 (E_RNA)
where:
Base-Base interactions energy: -387.024
where: short stacking energy: -188.484
Base-Backbone interact. energy: 1.568
local terms energy: -211.992594
where:
bonds (distance) C4'-P energy: -43.725
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -44.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -536.514480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.514480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.514480 (E_RNA)
where:
Base-Base interactions energy: -344.358
where: short stacking energy: -152.418
Base-Backbone interact. energy: 0.761
local terms energy: -192.917583
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -38.871
flat angles C4'-P-C4' energy: -45.322
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -33.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -426.783226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.783226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.783226 (E_RNA)
where:
Base-Base interactions energy: -255.501
where: short stacking energy: -121.874
Base-Backbone interact. energy: -1.372
local terms energy: -169.910494
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -217.918296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.918296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.918296 (E_RNA)
where:
Base-Base interactions energy: -76.423
where: short stacking energy: -62.629
Base-Backbone interact. energy: 0.146
local terms energy: -141.640988
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: 3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -919.205453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.205453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.205453 (E_RNA)
where:
Base-Base interactions energy: -648.198
where: short stacking energy: -257.791
Base-Backbone interact. energy: 2.046
local terms energy: -273.052775
where:
bonds (distance) C4'-P energy: -49.368
bonds (distance) P-C4' energy: -57.331
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -69.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -875.548719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.548719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.548719 (E_RNA)
where:
Base-Base interactions energy: -599.750
where: short stacking energy: -259.937
Base-Backbone interact. energy: -0.673
local terms energy: -275.125926
where:
bonds (distance) C4'-P energy: -49.063
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -76.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -839.260373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.260373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.260373 (E_RNA)
where:
Base-Base interactions energy: -571.232
where: short stacking energy: -261.529
Base-Backbone interact. energy: -0.959
local terms energy: -267.069543
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -51.149
flat angles C4'-P-C4' energy: -59.000
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -76.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -789.544005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.544005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.544005 (E_RNA)
where:
Base-Base interactions energy: -545.242
where: short stacking energy: -243.834
Base-Backbone interact. energy: 0.567
local terms energy: -244.868590
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -46.783
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -779.830172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.830172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.830172 (E_RNA)
where:
Base-Base interactions energy: -524.088
where: short stacking energy: -227.071
Base-Backbone interact. energy: -2.131
local terms energy: -253.611236
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -47.759
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -67.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -707.061322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.061322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.061322 (E_RNA)
where:
Base-Base interactions energy: -475.035
where: short stacking energy: -208.103
Base-Backbone interact. energy: 1.316
local terms energy: -233.342448
where:
bonds (distance) C4'-P energy: -45.841
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -52.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -579.948730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.948730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.948730 (E_RNA)
where:
Base-Base interactions energy: -387.376
where: short stacking energy: -165.698
Base-Backbone interact. energy: -0.022
local terms energy: -192.549810
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -37.482
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -33.388
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: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -567.278162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.278162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.278162 (E_RNA)
where:
Base-Base interactions energy: -356.507
where: short stacking energy: -159.318
Base-Backbone interact. energy: -0.870
local terms energy: -209.901244
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -47.305
flat angles P-C4'-P energy: -32.321
tors. eta vs tors. theta energy: -35.996
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: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -390.478603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.478603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.478603 (E_RNA)
where:
Base-Base interactions energy: -212.262
where: short stacking energy: -95.885
Base-Backbone interact. energy: 1.127
local terms energy: -179.343882
where:
bonds (distance) C4'-P energy: -45.761
bonds (distance) P-C4' energy: -44.981
flat angles C4'-P-C4' energy: -40.433
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -220.453324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.453324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.453324 (E_RNA)
where:
Base-Base interactions energy: -84.041
where: short stacking energy: -80.479
Base-Backbone interact. energy: -1.029
local terms energy: -135.383299
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -42.287
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: 7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -908.560917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.560917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.560917 (E_RNA)
where:
Base-Base interactions energy: -636.215
where: short stacking energy: -242.139
Base-Backbone interact. energy: -1.649
local terms energy: -270.696009
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -67.847
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: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -889.304915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.304915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.304915 (E_RNA)
where:
Base-Base interactions energy: -599.623
where: short stacking energy: -259.470
Base-Backbone interact. energy: -3.423
local terms energy: -286.259406
where:
bonds (distance) C4'-P energy: -56.369
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -58.454
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -73.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -869.829706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.829706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.829706 (E_RNA)
where:
Base-Base interactions energy: -576.674
where: short stacking energy: -258.719
Base-Backbone interact. energy: -1.175
local terms energy: -291.980244
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -60.410
flat angles C4'-P-C4' energy: -57.073
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -81.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -802.824978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.824978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.824978 (E_RNA)
where:
Base-Base interactions energy: -554.611
where: short stacking energy: -243.705
Base-Backbone interact. energy: -0.512
local terms energy: -247.702016
where:
bonds (distance) C4'-P energy: -36.668
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -54.478
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -74.666
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -789.887440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.887440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.887440 (E_RNA)
where:
Base-Base interactions energy: -541.186
where: short stacking energy: -239.138
Base-Backbone interact. energy: -0.256
local terms energy: -248.444851
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -54.002
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -69.794
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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -725.348091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.348091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.348091 (E_RNA)
where:
Base-Base interactions energy: -483.983
where: short stacking energy: -216.556
Base-Backbone interact. energy: 0.433
local terms energy: -241.798119
where:
bonds (distance) C4'-P energy: -45.056
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -62.151
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -58.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -600.963584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.963584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.963584 (E_RNA)
where:
Base-Base interactions energy: -386.294
where: short stacking energy: -169.994
Base-Backbone interact. energy: 0.257
local terms energy: -214.925744
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -51.682
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -39.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -547.263876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.263876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.263876 (E_RNA)
where:
Base-Base interactions energy: -366.154
where: short stacking energy: -179.523
Base-Backbone interact. energy: 3.720
local terms energy: -184.830005
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -46.867
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -410.081510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.081510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.081510 (E_RNA)
where:
Base-Base interactions energy: -247.592
where: short stacking energy: -128.406
Base-Backbone interact. energy: 2.544
local terms energy: -165.033258
where:
bonds (distance) C4'-P energy: -43.129
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -41.885
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -231.331852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.331852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.331852 (E_RNA)
where:
Base-Base interactions energy: -73.116
where: short stacking energy: -66.249
Base-Backbone interact. energy: 2.900
local terms energy: -161.116579
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: 5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -912.676593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.676593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.676593 (E_RNA)
where:
Base-Base interactions energy: -647.287
where: short stacking energy: -249.769
Base-Backbone interact. energy: -1.683
local terms energy: -263.707271
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -55.934
flat angles C4'-P-C4' energy: -59.991
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: -65.634
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -874.170909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.170909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.170909 (E_RNA)
where:
Base-Base interactions energy: -598.479
where: short stacking energy: -259.576
Base-Backbone interact. energy: -2.106
local terms energy: -273.586495
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -71.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -861.429759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.429759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.429759 (E_RNA)
where:
Base-Base interactions energy: -582.783
where: short stacking energy: -269.928
Base-Backbone interact. energy: -1.424
local terms energy: -277.223020
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -52.399
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -36.774
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -816.279608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.279608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.279608 (E_RNA)
where:
Base-Base interactions energy: -551.007
where: short stacking energy: -240.568
Base-Backbone interact. energy: -0.718
local terms energy: -264.554569
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -56.888
flat angles P-C4'-P energy: -36.403
tors. eta vs tors. theta energy: -69.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -759.784085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.784085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.784085 (E_RNA)
where:
Base-Base interactions energy: -507.692
where: short stacking energy: -222.249
Base-Backbone interact. energy: -0.145
local terms energy: -251.946721
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -59.241
flat angles C4'-P-C4' energy: -46.430
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -66.682
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: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -688.785096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.785096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.785096 (E_RNA)
where:
Base-Base interactions energy: -458.648
where: short stacking energy: -210.747
Base-Backbone interact. energy: -1.218
local terms energy: -228.919421
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -54.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -627.962327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.962327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.962327 (E_RNA)
where:
Base-Base interactions energy: -401.581
where: short stacking energy: -179.107
Base-Backbone interact. energy: -0.736
local terms energy: -225.645185
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -44.650
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: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -508.137684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.137684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.137684 (E_RNA)
where:
Base-Base interactions energy: -315.860
where: short stacking energy: -133.729
Base-Backbone interact. energy: 2.162
local terms energy: -194.440461
where:
bonds (distance) C4'-P energy: -47.266
bonds (distance) P-C4' energy: -46.794
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -387.093601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.093601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.093601 (E_RNA)
where:
Base-Base interactions energy: -205.333
where: short stacking energy: -97.058
Base-Backbone interact. energy: 3.210
local terms energy: -184.971281
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -56.093
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -18.180
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -228.475049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.475049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.475049 (E_RNA)
where:
Base-Base interactions energy: -72.337
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.870
local terms energy: -155.268055
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -918.691440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.691440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.691440 (E_RNA)
where:
Base-Base interactions energy: -637.868
where: short stacking energy: -259.801
Base-Backbone interact. energy: -1.651
local terms energy: -279.171866
where:
bonds (distance) C4'-P energy: -58.037
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -56.356
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -72.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -852.886554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.886554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.886554 (E_RNA)
where:
Base-Base interactions energy: -586.421
where: short stacking energy: -237.364
Base-Backbone interact. energy: -1.170
local terms energy: -265.296028
where:
bonds (distance) C4'-P energy: -55.055
bonds (distance) P-C4' energy: -49.851
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -36.426
tors. eta vs tors. theta energy: -65.534
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: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -826.810980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.810980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.810980 (E_RNA)
where:
Base-Base interactions energy: -562.796
where: short stacking energy: -251.296
Base-Backbone interact. energy: -0.304
local terms energy: -263.711207
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -56.447
flat angles C4'-P-C4' energy: -50.040
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: -72.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -811.460285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.460285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.460285 (E_RNA)
where:
Base-Base interactions energy: -551.525
where: short stacking energy: -248.169
Base-Backbone interact. energy: -0.972
local terms energy: -258.964083
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -76.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -752.433124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.433124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.433124 (E_RNA)
where:
Base-Base interactions energy: -508.188
where: short stacking energy: -229.216
Base-Backbone interact. energy: -1.602
local terms energy: -242.643588
where:
bonds (distance) C4'-P energy: -40.137
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -52.582
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -61.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -721.444973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.444973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.444973 (E_RNA)
where:
Base-Base interactions energy: -491.023
where: short stacking energy: -195.204
Base-Backbone interact. energy: -2.233
local terms energy: -228.189381
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -51.608
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -47.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -537.725026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.725026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.725026 (E_RNA)
where:
Base-Base interactions energy: -335.581
where: short stacking energy: -159.810
Base-Backbone interact. energy: -0.965
local terms energy: -201.178619
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -45.794
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -565.532179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.532179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.532179 (E_RNA)
where:
Base-Base interactions energy: -379.799
where: short stacking energy: -167.765
Base-Backbone interact. energy: -0.214
local terms energy: -185.519192
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -41.855
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -31.114
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: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -370.000635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.000635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.000635 (E_RNA)
where:
Base-Base interactions energy: -188.857
where: short stacking energy: -108.671
Base-Backbone interact. energy: 0.483
local terms energy: -181.626797
where:
bonds (distance) C4'-P energy: -47.964
bonds (distance) P-C4' energy: -53.964
flat angles C4'-P-C4' energy: -34.222
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -220.627022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627022 (E_RNA)
where:
Base-Base interactions energy: -79.453
where: short stacking energy: -59.716
Base-Backbone interact. energy: 3.668
local terms energy: -144.841357
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: 5.101
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: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -932.349115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.349115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.349115 (E_RNA)
where:
Base-Base interactions energy: -641.630
where: short stacking energy: -271.066
Base-Backbone interact. energy: 0.331
local terms energy: -291.050243
where:
bonds (distance) C4'-P energy: -60.863
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -38.588
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: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -869.449015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.449015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.449015 (E_RNA)
where:
Base-Base interactions energy: -597.914
where: short stacking energy: -257.644
Base-Backbone interact. energy: -0.670
local terms energy: -270.865316
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -60.126
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -70.711
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -821.305394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.305394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.305394 (E_RNA)
where:
Base-Base interactions energy: -551.322
where: short stacking energy: -249.236
Base-Backbone interact. energy: 0.939
local terms energy: -270.922449
where:
bonds (distance) C4'-P energy: -55.942
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -69.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -811.858956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.858956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.858956 (E_RNA)
where:
Base-Base interactions energy: -544.830
where: short stacking energy: -243.310
Base-Backbone interact. energy: -1.202
local terms energy: -265.826284
where:
bonds (distance) C4'-P energy: -57.595
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -45.296
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -72.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -763.532580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.532580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.532580 (E_RNA)
where:
Base-Base interactions energy: -515.805
where: short stacking energy: -225.722
Base-Backbone interact. energy: -0.934
local terms energy: -246.794090
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -52.717
flat angles C4'-P-C4' energy: -48.169
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -62.855
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: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -597.141995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.141995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.141995 (E_RNA)
where:
Base-Base interactions energy: -378.122
where: short stacking energy: -191.007
Base-Backbone interact. energy: 0.810
local terms energy: -219.829222
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -56.609
flat angles C4'-P-C4' energy: -50.975
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -51.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -659.364107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.364107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.364107 (E_RNA)
where:
Base-Base interactions energy: -430.127
where: short stacking energy: -194.693
Base-Backbone interact. energy: 1.036
local terms energy: -230.273200
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -567.277710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.277710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.277710 (E_RNA)
where:
Base-Base interactions energy: -372.099
where: short stacking energy: -164.617
Base-Backbone interact. energy: -0.821
local terms energy: -194.357584
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -33.225
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: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -383.202805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.202805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.202805 (E_RNA)
where:
Base-Base interactions energy: -218.603
where: short stacking energy: -77.862
Base-Backbone interact. energy: -1.119
local terms energy: -163.481015
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -44.270
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -11.054
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: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -239.884917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.884917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.884917 (E_RNA)
where:
Base-Base interactions energy: -93.302
where: short stacking energy: -80.455
Base-Backbone interact. energy: -0.661
local terms energy: -145.921476
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -54.427
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -23.386
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -893.723278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.723278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.723278 (E_RNA)
where:
Base-Base interactions energy: -618.028
where: short stacking energy: -268.306
Base-Backbone interact. energy: 0.847
local terms energy: -276.542330
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -57.425
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -69.415
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: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -908.023275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.023275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.023275 (E_RNA)
where:
Base-Base interactions energy: -649.776
where: short stacking energy: -270.855
Base-Backbone interact. energy: 0.994
local terms energy: -259.241730
where:
bonds (distance) C4'-P energy: -42.920
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -70.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -819.607008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.607008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.607008 (E_RNA)
where:
Base-Base interactions energy: -555.147
where: short stacking energy: -251.009
Base-Backbone interact. energy: 0.232
local terms energy: -264.691307
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -73.889
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -833.947003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.947003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.947003 (E_RNA)
where:
Base-Base interactions energy: -561.380
where: short stacking energy: -266.875
Base-Backbone interact. energy: -1.024
local terms energy: -271.543399
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -53.525
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -75.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -797.398287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.398287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.398287 (E_RNA)
where:
Base-Base interactions energy: -541.662
where: short stacking energy: -228.705
Base-Backbone interact. energy: -2.339
local terms energy: -253.397355
where:
bonds (distance) C4'-P energy: -53.932
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -63.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -587.276390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.276390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.276390 (E_RNA)
where:
Base-Base interactions energy: -370.570
where: short stacking energy: -172.422
Base-Backbone interact. energy: -0.665
local terms energy: -216.041647
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -39.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -668.954031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.954031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.954031 (E_RNA)
where:
Base-Base interactions energy: -453.799
where: short stacking energy: -200.386
Base-Backbone interact. energy: -0.572
local terms energy: -214.582899
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -49.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -578.602463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.602463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.602463 (E_RNA)
where:
Base-Base interactions energy: -394.163
where: short stacking energy: -187.159
Base-Backbone interact. energy: 1.004
local terms energy: -185.442860
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -46.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -402.544449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.544449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.544449 (E_RNA)
where:
Base-Base interactions energy: -223.881
where: short stacking energy: -106.639
Base-Backbone interact. energy: -0.927
local terms energy: -177.736146
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -50.513
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -223.628133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.628133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.628133 (E_RNA)
where:
Base-Base interactions energy: -68.355
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.547
local terms energy: -154.726321
where:
bonds (distance) C4'-P energy: -37.382
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -884.201957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.201957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.201957 (E_RNA)
where:
Base-Base interactions energy: -602.636
where: short stacking energy: -263.298
Base-Backbone interact. energy: -0.939
local terms energy: -280.627410
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -53.454
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -67.556
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -895.192994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.192994 (E_RNA)
where:
Base-Base interactions energy: -617.598
where: short stacking energy: -248.056
Base-Backbone interact. energy: -1.209
local terms energy: -276.385098
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -38.510
tors. eta vs tors. theta energy: -77.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -820.420803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.420803 (E_RNA)
where:
Base-Base interactions energy: -548.873
where: short stacking energy: -257.415
Base-Backbone interact. energy: -1.439
local terms energy: -270.108064
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -71.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -837.630071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.630071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.630071 (E_RNA)
where:
Base-Base interactions energy: -567.024
where: short stacking energy: -239.778
Base-Backbone interact. energy: -0.177
local terms energy: -270.429393
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -68.753
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: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -771.496647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.496647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.496647 (E_RNA)
where:
Base-Base interactions energy: -540.498
where: short stacking energy: -247.346
Base-Backbone interact. energy: 0.033
local terms energy: -231.032092
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -64.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -687.272938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.272938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.272938 (E_RNA)
where:
Base-Base interactions energy: -464.389
where: short stacking energy: -206.440
Base-Backbone interact. energy: 0.448
local terms energy: -223.331728
where:
bonds (distance) C4'-P energy: -49.979
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -51.005
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -48.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -586.884576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.884576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.884576 (E_RNA)
where:
Base-Base interactions energy: -385.370
where: short stacking energy: -171.772
Base-Backbone interact. energy: -0.825
local terms energy: -200.689103
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -41.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -605.725490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.725490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.725490 (E_RNA)
where:
Base-Base interactions energy: -408.194
where: short stacking energy: -177.041
Base-Backbone interact. energy: -0.880
local terms energy: -196.651721
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -49.323
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -389.690507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.690507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.690507 (E_RNA)
where:
Base-Base interactions energy: -224.802
where: short stacking energy: -108.986
Base-Backbone interact. energy: -1.200
local terms energy: -163.688213
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -41.395
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -12.808
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: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -231.101795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.101795 (E_RNA)
where:
Base-Base interactions energy: -76.302
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.362
local terms energy: -154.437409
where:
bonds (distance) C4'-P energy: -46.762
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -905.607425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.607425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.607425 (E_RNA)
where:
Base-Base interactions energy: -631.793
where: short stacking energy: -259.476
Base-Backbone interact. energy: -1.778
local terms energy: -272.036645
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -35.424
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -866.824410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.824410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.824410 (E_RNA)
where:
Base-Base interactions energy: -603.856
where: short stacking energy: -257.337
Base-Backbone interact. energy: -1.154
local terms energy: -261.814292
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -65.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -822.960292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.960292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.960292 (E_RNA)
where:
Base-Base interactions energy: -550.153
where: short stacking energy: -243.295
Base-Backbone interact. energy: -1.301
local terms energy: -271.506847
where:
bonds (distance) C4'-P energy: -51.570
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -74.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -846.105647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.105647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.105647 (E_RNA)
where:
Base-Base interactions energy: -563.166
where: short stacking energy: -259.168
Base-Backbone interact. energy: 0.584
local terms energy: -283.523798
where:
bonds (distance) C4'-P energy: -53.214
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -35.200
tors. eta vs tors. theta energy: -82.933
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: 436
Temperature: 1.100000
Total energy: -772.241477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.241477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.241477 (E_RNA)
where:
Base-Base interactions energy: -529.854
where: short stacking energy: -229.917
Base-Backbone interact. energy: -0.516
local terms energy: -241.871121
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -62.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -710.598223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.598223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.598223 (E_RNA)
where:
Base-Base interactions energy: -462.813
where: short stacking energy: -206.011
Base-Backbone interact. energy: -2.413
local terms energy: -245.372302
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -61.170
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -55.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -597.061556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.061556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.061556 (E_RNA)
where:
Base-Base interactions energy: -393.882
where: short stacking energy: -184.274
Base-Backbone interact. energy: 0.003
local terms energy: -203.182755
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -36.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -626.664175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.664175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.664175 (E_RNA)
where:
Base-Base interactions energy: -413.024
where: short stacking energy: -187.217
Base-Backbone interact. energy: -0.991
local terms energy: -212.648870
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -47.348
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -41.003
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: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -408.178157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.178157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.178157 (E_RNA)
where:
Base-Base interactions energy: -222.084
where: short stacking energy: -119.250
Base-Backbone interact. energy: -0.565
local terms energy: -185.529100
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -46.963
flat angles C4'-P-C4' energy: -42.692
flat angles P-C4'-P energy: -30.278
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -237.530333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.530333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.530333 (E_RNA)
where:
Base-Base interactions energy: -102.959
where: short stacking energy: -90.210
Base-Backbone interact. energy: -0.440
local terms energy: -134.131407
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -3.617
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: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -915.496090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.496090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.496090 (E_RNA)
where:
Base-Base interactions energy: -643.693
where: short stacking energy: -260.312
Base-Backbone interact. energy: -0.422
local terms energy: -271.380938
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -47.264
flat angles C4'-P-C4' energy: -57.894
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -71.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -865.737605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.737605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.737605 (E_RNA)
where:
Base-Base interactions energy: -591.047
where: short stacking energy: -261.047
Base-Backbone interact. energy: -1.296
local terms energy: -273.395085
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -55.653
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -64.340
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: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -815.281419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.281419 (E_RNA)
where:
Base-Base interactions energy: -543.067
where: short stacking energy: -245.521
Base-Backbone interact. energy: -1.129
local terms energy: -271.085113
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -47.752
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -67.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -832.006894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.006894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.006894 (E_RNA)
where:
Base-Base interactions energy: -566.498
where: short stacking energy: -253.208
Base-Backbone interact. energy: -0.266
local terms energy: -265.243312
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -59.681
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -76.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -779.229882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.229882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.229882 (E_RNA)
where:
Base-Base interactions energy: -526.127
where: short stacking energy: -235.196
Base-Backbone interact. energy: 0.250
local terms energy: -253.353580
where:
bonds (distance) C4'-P energy: -42.049
bonds (distance) P-C4' energy: -47.325
flat angles C4'-P-C4' energy: -55.980
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -66.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -681.998240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.998240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.998240 (E_RNA)
where:
Base-Base interactions energy: -447.472
where: short stacking energy: -209.432
Base-Backbone interact. energy: -1.799
local terms energy: -232.726959
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -52.841
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: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -607.049156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.049156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.049156 (E_RNA)
where:
Base-Base interactions energy: -407.009
where: short stacking energy: -184.459
Base-Backbone interact. energy: 0.015
local terms energy: -200.054939
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -47.380
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -50.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -570.656568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.656568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.656568 (E_RNA)
where:
Base-Base interactions energy: -366.760
where: short stacking energy: -168.183
Base-Backbone interact. energy: -0.705
local terms energy: -203.192301
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -49.698
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -35.471
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -388.520168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.520168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.520168 (E_RNA)
where:
Base-Base interactions energy: -217.483
where: short stacking energy: -103.241
Base-Backbone interact. energy: -1.728
local terms energy: -169.308827
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -42.419
flat angles C4'-P-C4' energy: -46.500
flat angles P-C4'-P energy: -24.638
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: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -224.219140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.219140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.219140 (E_RNA)
where:
Base-Base interactions energy: -85.555
where: short stacking energy: -54.380
Base-Backbone interact. energy: -1.256
local terms energy: -137.408158
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -40.073
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: 8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -917.706042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.706042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.706042 (E_RNA)
where:
Base-Base interactions energy: -632.413
where: short stacking energy: -263.438
Base-Backbone interact. energy: -1.827
local terms energy: -283.465916
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -56.737
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -65.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -862.123671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.123671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.123671 (E_RNA)
where:
Base-Base interactions energy: -589.070
where: short stacking energy: -256.064
Base-Backbone interact. energy: -0.600
local terms energy: -272.453805
where:
bonds (distance) C4'-P energy: -54.394
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -54.912
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: -69.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -851.056729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.056729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.056729 (E_RNA)
where:
Base-Base interactions energy: -577.932
where: short stacking energy: -252.490
Base-Backbone interact. energy: 0.288
local terms energy: -273.413224
where:
bonds (distance) C4'-P energy: -53.575
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -60.748
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -71.250
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: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -803.561006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.561006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.561006 (E_RNA)
where:
Base-Base interactions energy: -539.035
where: short stacking energy: -243.433
Base-Backbone interact. energy: -0.936
local terms energy: -263.590031
where:
bonds (distance) C4'-P energy: -46.482
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -59.489
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -73.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -781.762860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.762860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.762860 (E_RNA)
where:
Base-Base interactions energy: -512.599
where: short stacking energy: -234.867
Base-Backbone interact. energy: -1.794
local terms energy: -267.369924
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -67.219
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -681.976131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.976131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.976131 (E_RNA)
where:
Base-Base interactions energy: -452.831
where: short stacking energy: -201.272
Base-Backbone interact. energy: -0.294
local terms energy: -228.850807
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -52.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -555.479153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.479153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.479153 (E_RNA)
where:
Base-Base interactions energy: -361.136
where: short stacking energy: -162.634
Base-Backbone interact. energy: -0.569
local terms energy: -193.774532
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -52.370
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -631.445935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.445935 (E_RNA)
where:
Base-Base interactions energy: -403.138
where: short stacking energy: -192.066
Base-Backbone interact. energy: -1.286
local terms energy: -227.022146
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -51.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -411.585464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.585464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.585464 (E_RNA)
where:
Base-Base interactions energy: -235.491
where: short stacking energy: -131.397
Base-Backbone interact. energy: 1.398
local terms energy: -177.492416
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -213.357673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.357673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.357673 (E_RNA)
where:
Base-Base interactions energy: -69.856
where: short stacking energy: -45.242
Base-Backbone interact. energy: 6.579
local terms energy: -150.080973
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: 11.189
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -909.179780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.179780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.179780 (E_RNA)
where:
Base-Base interactions energy: -633.517
where: short stacking energy: -265.657
Base-Backbone interact. energy: 2.988
local terms energy: -278.650511
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -68.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -848.333892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.333892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.333892 (E_RNA)
where:
Base-Base interactions energy: -586.463
where: short stacking energy: -247.455
Base-Backbone interact. energy: -1.582
local terms energy: -260.288857
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -67.336
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: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -838.365709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.365709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.365709 (E_RNA)
where:
Base-Base interactions energy: -562.389
where: short stacking energy: -257.783
Base-Backbone interact. energy: -0.687
local terms energy: -275.289037
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -60.208
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -76.777
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -799.054504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.054504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.054504 (E_RNA)
where:
Base-Base interactions energy: -545.193
where: short stacking energy: -237.381
Base-Backbone interact. energy: 0.678
local terms energy: -254.539827
where:
bonds (distance) C4'-P energy: -49.867
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -45.905
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -74.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -793.443391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.443391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.443391 (E_RNA)
where:
Base-Base interactions energy: -548.178
where: short stacking energy: -237.286
Base-Backbone interact. energy: -0.593
local terms energy: -244.672501
where:
bonds (distance) C4'-P energy: -50.804
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -65.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -694.544599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.544599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.544599 (E_RNA)
where:
Base-Base interactions energy: -478.956
where: short stacking energy: -214.223
Base-Backbone interact. energy: -1.095
local terms energy: -214.493095
where:
bonds (distance) C4'-P energy: -34.889
bonds (distance) P-C4' energy: -48.872
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -62.301
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: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -568.709901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.709901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.709901 (E_RNA)
where:
Base-Base interactions energy: -347.258
where: short stacking energy: -166.699
Base-Backbone interact. energy: -0.459
local terms energy: -220.992862
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -45.705
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -531.278803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.278803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.278803 (E_RNA)
where:
Base-Base interactions energy: -330.659
where: short stacking energy: -150.529
Base-Backbone interact. energy: -0.756
local terms energy: -199.863140
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: -33.044
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: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -438.772407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.772407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.772407 (E_RNA)
where:
Base-Base interactions energy: -254.062
where: short stacking energy: -116.937
Base-Backbone interact. energy: -0.747
local terms energy: -183.963054
where:
bonds (distance) C4'-P energy: -40.906
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -231.748926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.748926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.748926 (E_RNA)
where:
Base-Base interactions energy: -92.111
where: short stacking energy: -77.218
Base-Backbone interact. energy: 0.455
local terms energy: -140.092773
where:
bonds (distance) C4'-P energy: -35.951
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: 3.421
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: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -914.595950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.595950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.595950 (E_RNA)
where:
Base-Base interactions energy: -635.936
where: short stacking energy: -263.881
Base-Backbone interact. energy: -1.235
local terms energy: -277.424957
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -55.308
flat angles C4'-P-C4' energy: -58.626
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -73.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -865.319689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.319689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.319689 (E_RNA)
where:
Base-Base interactions energy: -605.816
where: short stacking energy: -251.761
Base-Backbone interact. energy: -0.536
local terms energy: -258.967781
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -41.081
tors. eta vs tors. theta energy: -62.067
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: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -830.021460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.021460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.021460 (E_RNA)
where:
Base-Base interactions energy: -556.672
where: short stacking energy: -245.349
Base-Backbone interact. energy: -1.639
local terms energy: -271.709576
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -39.999
tors. eta vs tors. theta energy: -77.405
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: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -806.900119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.900119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.900119 (E_RNA)
where:
Base-Base interactions energy: -538.484
where: short stacking energy: -232.526
Base-Backbone interact. energy: -0.790
local terms energy: -267.626220
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -70.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -807.436154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.436154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.436154 (E_RNA)
where:
Base-Base interactions energy: -556.588
where: short stacking energy: -235.624
Base-Backbone interact. energy: -0.863
local terms energy: -249.984974
where:
bonds (distance) C4'-P energy: -49.751
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -76.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -711.067403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.067403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.067403 (E_RNA)
where:
Base-Base interactions energy: -482.090
where: short stacking energy: -217.346
Base-Backbone interact. energy: 0.932
local terms energy: -229.910003
where:
bonds (distance) C4'-P energy: -45.015
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -49.593
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -51.785
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: 440
Temperature: 1.200000
Total energy: -585.293624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.293624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.293624 (E_RNA)
where:
Base-Base interactions energy: -377.188
where: short stacking energy: -162.298
Base-Backbone interact. energy: 2.619
local terms energy: -210.725402
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -34.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -566.639898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.639898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.639898 (E_RNA)
where:
Base-Base interactions energy: -344.143
where: short stacking energy: -161.405
Base-Backbone interact. energy: -1.208
local terms energy: -221.289598
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -48.177
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -38.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -379.714808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.714808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.714808 (E_RNA)
where:
Base-Base interactions energy: -202.765
where: short stacking energy: -103.216
Base-Backbone interact. energy: -0.965
local terms energy: -175.984963
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -20.199
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: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -256.910056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.910056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.910056 (E_RNA)
where:
Base-Base interactions energy: -116.772
where: short stacking energy: -87.885
Base-Backbone interact. energy: -0.852
local terms energy: -139.286412
where:
bonds (distance) C4'-P energy: -31.558
bonds (distance) P-C4' energy: -55.770
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: 3.658
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: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -907.943780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.943780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.943780 (E_RNA)
where:
Base-Base interactions energy: -628.356
where: short stacking energy: -263.990
Base-Backbone interact. energy: -0.393
local terms energy: -279.195218
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -62.557
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -71.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -824.881526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.881526 (E_RNA)
where:
Base-Base interactions energy: -564.799
where: short stacking energy: -247.753
Base-Backbone interact. energy: -0.370
local terms energy: -259.711651
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -48.625
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -37.494
tors. eta vs tors. theta energy: -64.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -833.894698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.894698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.894698 (E_RNA)
where:
Base-Base interactions energy: -574.748
where: short stacking energy: -269.549
Base-Backbone interact. energy: -0.108
local terms energy: -259.038290
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -71.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -797.307438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.307438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.307438 (E_RNA)
where:
Base-Base interactions energy: -543.706
where: short stacking energy: -235.528
Base-Backbone interact. energy: -1.260
local terms energy: -252.341989
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -52.305
flat angles C4'-P-C4' energy: -49.711
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -66.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -788.129972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.129972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.129972 (E_RNA)
where:
Base-Base interactions energy: -535.394
where: short stacking energy: -234.490
Base-Backbone interact. energy: 0.803
local terms energy: -253.539164
where:
bonds (distance) C4'-P energy: -49.316
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -72.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -720.909327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.909327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.909327 (E_RNA)
where:
Base-Base interactions energy: -493.607
where: short stacking energy: -212.628
Base-Backbone interact. energy: 1.274
local terms energy: -228.576600
where:
bonds (distance) C4'-P energy: -45.408
bonds (distance) P-C4' energy: -47.190
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: -57.419
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: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -620.065464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.065464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.065464 (E_RNA)
where:
Base-Base interactions energy: -406.196
where: short stacking energy: -178.780
Base-Backbone interact. energy: -0.568
local terms energy: -213.302054
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -50.389
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -38.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -542.477117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.477117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.477117 (E_RNA)
where:
Base-Base interactions energy: -336.124
where: short stacking energy: -153.526
Base-Backbone interact. energy: 0.415
local terms energy: -206.768591
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -35.800
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -382.026920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.026920 (E_RNA)
where:
Base-Base interactions energy: -219.375
where: short stacking energy: -109.081
Base-Backbone interact. energy: -0.809
local terms energy: -161.842396
where:
bonds (distance) C4'-P energy: -44.602
bonds (distance) P-C4' energy: -50.821
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -210.776655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.776655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.776655 (E_RNA)
where:
Base-Base interactions energy: -68.264
where: short stacking energy: -58.736
Base-Backbone interact. energy: -1.418
local terms energy: -141.094311
where:
bonds (distance) C4'-P energy: -48.199
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: 10.008
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: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -920.473276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.473276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.473276 (E_RNA)
where:
Base-Base interactions energy: -635.926
where: short stacking energy: -265.698
Base-Backbone interact. energy: -2.878
local terms energy: -281.669188
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -54.535
flat angles C4'-P-C4' energy: -55.886
flat angles P-C4'-P energy: -43.999
tors. eta vs tors. theta energy: -73.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -834.886844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.886844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.886844 (E_RNA)
where:
Base-Base interactions energy: -566.686
where: short stacking energy: -246.226
Base-Backbone interact. energy: -1.237
local terms energy: -266.963867
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -54.641
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -63.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -811.456521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.456521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.456521 (E_RNA)
where:
Base-Base interactions energy: -550.923
where: short stacking energy: -237.886
Base-Backbone interact. energy: 0.986
local terms energy: -261.519066
where:
bonds (distance) C4'-P energy: -52.711
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -33.755
tors. eta vs tors. theta energy: -76.136
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: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -790.970181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.970181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.970181 (E_RNA)
where:
Base-Base interactions energy: -541.319
where: short stacking energy: -232.553
Base-Backbone interact. energy: -0.429
local terms energy: -249.222848
where:
bonds (distance) C4'-P energy: -41.713
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -67.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -806.705143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.705143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.705143 (E_RNA)
where:
Base-Base interactions energy: -553.503
where: short stacking energy: -260.754
Base-Backbone interact. energy: -0.390
local terms energy: -252.812206
where:
bonds (distance) C4'-P energy: -40.824
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -76.472
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -719.362276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.362276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.362276 (E_RNA)
where:
Base-Base interactions energy: -475.305
where: short stacking energy: -219.317
Base-Backbone interact. energy: -0.950
local terms energy: -243.107895
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -49.893
flat angles P-C4'-P energy: -36.162
tors. eta vs tors. theta energy: -61.014
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: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -571.666501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.666501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.666501 (E_RNA)
where:
Base-Base interactions energy: -370.592
where: short stacking energy: -174.444
Base-Backbone interact. energy: -1.116
local terms energy: -199.958205
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -43.220
flat angles C4'-P-C4' energy: -49.871
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -526.246512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.246512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.246512 (E_RNA)
where:
Base-Base interactions energy: -326.392
where: short stacking energy: -152.044
Base-Backbone interact. energy: -0.258
local terms energy: -199.596223
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -55.298
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -410.891586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.891586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.891586 (E_RNA)
where:
Base-Base interactions energy: -221.349
where: short stacking energy: -123.360
Base-Backbone interact. energy: -1.675
local terms energy: -187.867534
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -223.676117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.676117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.676117 (E_RNA)
where:
Base-Base interactions energy: -82.538
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.921
local terms energy: -140.216976
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: 8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -901.759152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.759152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.759152 (E_RNA)
where:
Base-Base interactions energy: -629.940
where: short stacking energy: -258.249
Base-Backbone interact. energy: -1.491
local terms energy: -270.328604
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -41.846
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -851.357992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.357992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.357992 (E_RNA)
where:
Base-Base interactions energy: -575.081
where: short stacking energy: -252.888
Base-Backbone interact. energy: -1.612
local terms energy: -274.664918
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -63.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -830.780334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.780334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.780334 (E_RNA)
where:
Base-Base interactions energy: -569.174
where: short stacking energy: -252.501
Base-Backbone interact. energy: 2.316
local terms energy: -263.922460
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -68.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -858.046392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.046392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.046392 (E_RNA)
where:
Base-Base interactions energy: -586.521
where: short stacking energy: -270.946
Base-Backbone interact. energy: -0.396
local terms energy: -271.130109
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -82.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -749.946573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.946573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.946573 (E_RNA)
where:
Base-Base interactions energy: -516.686
where: short stacking energy: -227.250
Base-Backbone interact. energy: -0.302
local terms energy: -232.959366
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -51.968
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: -60.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -718.928371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.928371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.928371 (E_RNA)
where:
Base-Base interactions energy: -494.480
where: short stacking energy: -229.518
Base-Backbone interact. energy: 2.443
local terms energy: -226.891600
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -40.881
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -59.793
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: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -575.609166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.609166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.609166 (E_RNA)
where:
Base-Base interactions energy: -360.549
where: short stacking energy: -163.725
Base-Backbone interact. energy: -1.465
local terms energy: -213.595311
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -49.235
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -33.528
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: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -536.552352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.552352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.552352 (E_RNA)
where:
Base-Base interactions energy: -357.434
where: short stacking energy: -159.453
Base-Backbone interact. energy: -1.165
local terms energy: -177.953098
where:
bonds (distance) C4'-P energy: -34.724
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -30.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -418.916233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.916233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.916233 (E_RNA)
where:
Base-Base interactions energy: -246.604
where: short stacking energy: -137.406
Base-Backbone interact. energy: 1.429
local terms energy: -173.740933
where:
bonds (distance) C4'-P energy: -47.694
bonds (distance) P-C4' energy: -53.525
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -224.069876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.069876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.069876 (E_RNA)
where:
Base-Base interactions energy: -70.680
where: short stacking energy: -64.163
Base-Backbone interact. energy: 6.295
local terms energy: -159.685017
where:
bonds (distance) C4'-P energy: -48.622
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -912.604498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.604498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.604498 (E_RNA)
where:
Base-Base interactions energy: -641.121
where: short stacking energy: -266.579
Base-Backbone interact. energy: -1.784
local terms energy: -269.699459
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -52.224
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -74.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -863.544528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.544528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.544528 (E_RNA)
where:
Base-Base interactions energy: -596.648
where: short stacking energy: -270.244
Base-Backbone interact. energy: -0.645
local terms energy: -266.251225
where:
bonds (distance) C4'-P energy: -48.281
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -67.105
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: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -863.736060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.736060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.736060 (E_RNA)
where:
Base-Base interactions energy: -584.321
where: short stacking energy: -264.201
Base-Backbone interact. energy: -0.171
local terms energy: -279.243807
where:
bonds (distance) C4'-P energy: -59.289
bonds (distance) P-C4' energy: -44.371
flat angles C4'-P-C4' energy: -51.305
flat angles P-C4'-P energy: -40.979
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: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -823.518156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.518156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.518156 (E_RNA)
where:
Base-Base interactions energy: -574.150
where: short stacking energy: -248.375
Base-Backbone interact. energy: -0.238
local terms energy: -249.129858
where:
bonds (distance) C4'-P energy: -41.751
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -50.798
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -63.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -762.346063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.346063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.346063 (E_RNA)
where:
Base-Base interactions energy: -510.782
where: short stacking energy: -222.840
Base-Backbone interact. energy: -1.831
local terms energy: -249.732731
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -38.021
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: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -677.015026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.015026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.015026 (E_RNA)
where:
Base-Base interactions energy: -457.351
where: short stacking energy: -201.318
Base-Backbone interact. energy: 5.907
local terms energy: -225.571033
where:
bonds (distance) C4'-P energy: -40.843
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -46.122
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -58.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -603.658181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.658181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.658181 (E_RNA)
where:
Base-Base interactions energy: -398.858
where: short stacking energy: -184.086
Base-Backbone interact. energy: -0.722
local terms energy: -204.077718
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -52.850
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -557.433264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.433264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.433264 (E_RNA)
where:
Base-Base interactions energy: -346.469
where: short stacking energy: -150.815
Base-Backbone interact. energy: -1.530
local terms energy: -209.434473
where:
bonds (distance) C4'-P energy: -52.608
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -37.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -408.614767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.614767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.614767 (E_RNA)
where:
Base-Base interactions energy: -252.189
where: short stacking energy: -118.213
Base-Backbone interact. energy: 0.293
local terms energy: -156.719000
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -216.202126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.202126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202126 (E_RNA)
where:
Base-Base interactions energy: -66.723
where: short stacking energy: -62.584
Base-Backbone interact. energy: 0.100
local terms energy: -149.579789
where:
bonds (distance) C4'-P energy: -38.633
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -36.705
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: 7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -919.083688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.083688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.083688 (E_RNA)
where:
Base-Base interactions energy: -642.754
where: short stacking energy: -262.926
Base-Backbone interact. energy: 1.767
local terms energy: -278.096132
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -57.288
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -70.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -892.101401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.101401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.101401 (E_RNA)
where:
Base-Base interactions energy: -610.743
where: short stacking energy: -269.193
Base-Backbone interact. energy: -1.185
local terms energy: -280.174017
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -52.834
flat angles C4'-P-C4' energy: -61.014
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -79.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -831.551675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.551675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.551675 (E_RNA)
where:
Base-Base interactions energy: -568.520
where: short stacking energy: -249.142
Base-Backbone interact. energy: -1.217
local terms energy: -261.814868
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -39.448
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -807.544462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.544462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.544462 (E_RNA)
where:
Base-Base interactions energy: -548.590
where: short stacking energy: -248.013
Base-Backbone interact. energy: -1.741
local terms energy: -257.213846
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -56.554
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -60.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -752.046703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.046703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.046703 (E_RNA)
where:
Base-Base interactions energy: -510.481
where: short stacking energy: -226.204
Base-Backbone interact. energy: -1.121
local terms energy: -240.445098
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -42.014
flat angles C4'-P-C4' energy: -55.025
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -65.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -730.109907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.109907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.109907 (E_RNA)
where:
Base-Base interactions energy: -491.087
where: short stacking energy: -218.982
Base-Backbone interact. energy: -0.007
local terms energy: -239.016183
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -544.637784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.637784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.637784 (E_RNA)
where:
Base-Base interactions energy: -329.799
where: short stacking energy: -156.674
Base-Backbone interact. energy: 0.993
local terms energy: -215.831968
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -44.190
flat angles C4'-P-C4' energy: -58.199
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -32.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -560.959985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.959985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.959985 (E_RNA)
where:
Base-Base interactions energy: -355.157
where: short stacking energy: -154.539
Base-Backbone interact. energy: 2.501
local terms energy: -208.304213
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -41.697
flat angles C4'-P-C4' energy: -47.093
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -31.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -389.759923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.759923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.759923 (E_RNA)
where:
Base-Base interactions energy: -229.701
where: short stacking energy: -115.831
Base-Backbone interact. energy: 1.018
local terms energy: -161.076779
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -41.334
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -243.895222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.895222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.895222 (E_RNA)
where:
Base-Base interactions energy: -89.901
where: short stacking energy: -83.897
Base-Backbone interact. energy: -4.046
local terms energy: -149.947987
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -916.167937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.167937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.167937 (E_RNA)
where:
Base-Base interactions energy: -641.945
where: short stacking energy: -268.322
Base-Backbone interact. energy: -1.283
local terms energy: -272.940067
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -51.069
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -39.132
tors. eta vs tors. theta energy: -68.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -915.354664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.354664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.354664 (E_RNA)
where:
Base-Base interactions energy: -617.614
where: short stacking energy: -293.110
Base-Backbone interact. energy: -0.389
local terms energy: -297.351660
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -88.333
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -856.192710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.192710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.192710 (E_RNA)
where:
Base-Base interactions energy: -593.534
where: short stacking energy: -255.046
Base-Backbone interact. energy: -0.711
local terms energy: -261.947388
where:
bonds (distance) C4'-P energy: -49.584
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -52.751
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -65.461
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: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -797.764994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.764994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.764994 (E_RNA)
where:
Base-Base interactions energy: -529.118
where: short stacking energy: -245.386
Base-Backbone interact. energy: -0.491
local terms energy: -268.156216
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: -65.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -767.384335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.384335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.384335 (E_RNA)
where:
Base-Base interactions energy: -520.378
where: short stacking energy: -221.598
Base-Backbone interact. energy: 0.685
local terms energy: -247.691408
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -35.604
tors. eta vs tors. theta energy: -60.808
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -718.676908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.676908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.676908 (E_RNA)
where:
Base-Base interactions energy: -490.872
where: short stacking energy: -207.271
Base-Backbone interact. energy: -1.332
local terms energy: -226.472456
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -45.198
flat angles C4'-P-C4' energy: -49.836
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -53.434
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: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -570.939518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.939518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.939518 (E_RNA)
where:
Base-Base interactions energy: -357.911
where: short stacking energy: -155.906
Base-Backbone interact. energy: -1.197
local terms energy: -211.832081
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -48.774
flat angles C4'-P-C4' energy: -48.789
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -535.665815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.665815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.665815 (E_RNA)
where:
Base-Base interactions energy: -327.160
where: short stacking energy: -168.108
Base-Backbone interact. energy: 3.606
local terms energy: -212.111253
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -43.593
flat angles C4'-P-C4' energy: -48.116
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -41.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -369.755668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.755668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.755668 (E_RNA)
where:
Base-Base interactions energy: -190.765
where: short stacking energy: -107.744
Base-Backbone interact. energy: 0.212
local terms energy: -179.202722
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -232.691388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.691388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.691388 (E_RNA)
where:
Base-Base interactions energy: -87.933
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.571
local terms energy: -144.187502
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -45.463
flat angles C4'-P-C4' energy: -42.146
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -6.367
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: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -896.380591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.380591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.380591 (E_RNA)
where:
Base-Base interactions energy: -623.198
where: short stacking energy: -250.249
Base-Backbone interact. energy: -0.939
local terms energy: -272.242693
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -54.110
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -70.795
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: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -879.950992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.950992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.950992 (E_RNA)
where:
Base-Base interactions energy: -607.772
where: short stacking energy: -283.374
Base-Backbone interact. energy: -1.008
local terms energy: -271.171263
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -57.483
flat angles C4'-P-C4' energy: -54.165
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -78.077
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -830.548577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.548577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.548577 (E_RNA)
where:
Base-Base interactions energy: -568.568
where: short stacking energy: -244.903
Base-Backbone interact. energy: -1.824
local terms energy: -260.156172
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -55.675
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -66.490
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -827.829063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.829063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.829063 (E_RNA)
where:
Base-Base interactions energy: -560.137
where: short stacking energy: -247.911
Base-Backbone interact. energy: -0.906
local terms energy: -266.786716
where:
bonds (distance) C4'-P energy: -52.103
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -74.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -792.067414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.067414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.067414 (E_RNA)
where:
Base-Base interactions energy: -534.509
where: short stacking energy: -240.251
Base-Backbone interact. energy: -0.665
local terms energy: -256.893585
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -51.431
flat angles C4'-P-C4' energy: -53.812
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -71.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -704.209451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.209451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.209451 (E_RNA)
where:
Base-Base interactions energy: -459.357
where: short stacking energy: -193.088
Base-Backbone interact. energy: -0.950
local terms energy: -243.902822
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -59.732
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -51.167
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: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -561.729438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.729438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.729438 (E_RNA)
where:
Base-Base interactions energy: -360.685
where: short stacking energy: -161.742
Base-Backbone interact. energy: -0.277
local terms energy: -200.767578
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -50.888
flat angles C4'-P-C4' energy: -46.151
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -536.741288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.741288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.741288 (E_RNA)
where:
Base-Base interactions energy: -332.552
where: short stacking energy: -141.935
Base-Backbone interact. energy: -0.648
local terms energy: -203.541857
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -51.764
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -28.359
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: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -331.033538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.033538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.033538 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -101.796
Base-Backbone interact. energy: 0.456
local terms energy: -171.615887
where:
bonds (distance) C4'-P energy: -47.484
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -227.688888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.688888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688888 (E_RNA)
where:
Base-Base interactions energy: -81.733
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.486
local terms energy: -145.469892
where:
bonds (distance) C4'-P energy: -40.753
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -34.798
flat angles P-C4'-P energy: -24.834
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: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -906.965495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.965495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.965495 (E_RNA)
where:
Base-Base interactions energy: -624.987
where: short stacking energy: -269.636
Base-Backbone interact. energy: -1.161
local terms energy: -280.817631
where:
bonds (distance) C4'-P energy: -50.510
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -62.330
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -78.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -886.593252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.593252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.593252 (E_RNA)
where:
Base-Base interactions energy: -616.598
where: short stacking energy: -248.296
Base-Backbone interact. energy: -1.320
local terms energy: -268.675026
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -62.520
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -70.067
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: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -826.638587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.638587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.638587 (E_RNA)
where:
Base-Base interactions energy: -565.866
where: short stacking energy: -241.699
Base-Backbone interact. energy: 0.096
local terms energy: -260.868416
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -59.744
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: 448
Temperature: 1.050000
Total energy: -808.445126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.445126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.445126 (E_RNA)
where:
Base-Base interactions energy: -549.674
where: short stacking energy: -243.059
Base-Backbone interact. energy: -0.925
local terms energy: -257.845880
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -31.565
tors. eta vs tors. theta energy: -67.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -764.064250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.064250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.064250 (E_RNA)
where:
Base-Base interactions energy: -519.688
where: short stacking energy: -222.976
Base-Backbone interact. energy: -0.880
local terms energy: -243.495645
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: -68.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -707.002137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.002137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.002137 (E_RNA)
where:
Base-Base interactions energy: -465.929
where: short stacking energy: -197.973
Base-Backbone interact. energy: -1.100
local terms energy: -239.973410
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -48.338
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -54.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -600.422146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.422146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.422146 (E_RNA)
where:
Base-Base interactions energy: -402.621
where: short stacking energy: -170.615
Base-Backbone interact. energy: -1.971
local terms energy: -195.830095
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -48.979
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -30.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -551.401467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.401467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.401467 (E_RNA)
where:
Base-Base interactions energy: -365.424
where: short stacking energy: -186.974
Base-Backbone interact. energy: -1.110
local terms energy: -184.867833
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -38.759
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -346.147864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.147864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.147864 (E_RNA)
where:
Base-Base interactions energy: -175.602
where: short stacking energy: -104.398
Base-Backbone interact. energy: -0.625
local terms energy: -169.920994
where:
bonds (distance) C4'-P energy: -44.394
bonds (distance) P-C4' energy: -43.628
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -220.525781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.525781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.525781 (E_RNA)
where:
Base-Base interactions energy: -84.503
where: short stacking energy: -77.478
Base-Backbone interact. energy: 1.406
local terms energy: -137.428074
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: 4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -905.793955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.793955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.793955 (E_RNA)
where:
Base-Base interactions energy: -609.997
where: short stacking energy: -264.637
Base-Backbone interact. energy: -0.222
local terms energy: -295.574696
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -55.753
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -82.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -882.046379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.046379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.046379 (E_RNA)
where:
Base-Base interactions energy: -629.305
where: short stacking energy: -250.166
Base-Backbone interact. energy: -0.595
local terms energy: -252.146427
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -51.692
flat angles P-C4'-P energy: -40.655
tors. eta vs tors. theta energy: -67.667
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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -841.428858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.428858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.428858 (E_RNA)
where:
Base-Base interactions energy: -578.913
where: short stacking energy: -254.655
Base-Backbone interact. energy: 0.961
local terms energy: -263.476776
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -63.435
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -71.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -807.905246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.905246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.905246 (E_RNA)
where:
Base-Base interactions energy: -542.248
where: short stacking energy: -241.962
Base-Backbone interact. energy: -1.099
local terms energy: -264.558120
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -54.507
flat angles C4'-P-C4' energy: -52.348
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -73.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -781.195792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.195792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.195792 (E_RNA)
where:
Base-Base interactions energy: -528.821
where: short stacking energy: -227.982
Base-Backbone interact. energy: -2.154
local terms energy: -250.220480
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -42.248
tors. eta vs tors. theta energy: -61.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -645.069033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.069033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.069033 (E_RNA)
where:
Base-Base interactions energy: -411.239
where: short stacking energy: -160.411
Base-Backbone interact. energy: -2.985
local terms energy: -230.845407
where:
bonds (distance) C4'-P energy: -59.351
bonds (distance) P-C4' energy: -43.511
flat angles C4'-P-C4' energy: -47.308
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -40.252
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -671.409233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.409233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.409233 (E_RNA)
where:
Base-Base interactions energy: -447.901
where: short stacking energy: -203.491
Base-Backbone interact. energy: -0.907
local terms energy: -222.600627
where:
bonds (distance) C4'-P energy: -39.320
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -49.178
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -50.600
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: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -558.721276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.721276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.721276 (E_RNA)
where:
Base-Base interactions energy: -357.706
where: short stacking energy: -163.621
Base-Backbone interact. energy: -1.045
local terms energy: -199.970148
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -44.023
flat angles C4'-P-C4' energy: -44.517
flat angles P-C4'-P energy: -30.350
tors. eta vs tors. theta energy: -36.980
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: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -339.656056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.656056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.656056 (E_RNA)
where:
Base-Base interactions energy: -182.161
where: short stacking energy: -98.062
Base-Backbone interact. energy: 0.191
local terms energy: -157.685721
where:
bonds (distance) C4'-P energy: -43.552
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -223.116774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.116774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.116774 (E_RNA)
where:
Base-Base interactions energy: -80.159
where: short stacking energy: -70.930
Base-Backbone interact. energy: 3.742
local terms energy: -146.699713
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -53.229
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -29.019
tors. eta vs tors. theta energy: 9.654
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: 450
Temperature: 0.900000
Total energy: -917.420136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.420136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.420136 (E_RNA)
where:
Base-Base interactions energy: -630.134
where: short stacking energy: -277.805
Base-Backbone interact. energy: -0.561
local terms energy: -286.724657
where:
bonds (distance) C4'-P energy: -52.392
bonds (distance) P-C4' energy: -58.704
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -75.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -883.381556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.381556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.381556 (E_RNA)
where:
Base-Base interactions energy: -621.932
where: short stacking energy: -272.318
Base-Backbone interact. energy: -1.556
local terms energy: -259.893177
where:
bonds (distance) C4'-P energy: -50.167
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: -70.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -848.819359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.819359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.819359 (E_RNA)
where:
Base-Base interactions energy: -577.947
where: short stacking energy: -261.019
Base-Backbone interact. energy: 0.686
local terms energy: -271.558969
where:
bonds (distance) C4'-P energy: -45.811
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -45.335
tors. eta vs tors. theta energy: -66.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -793.915234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.915234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.915234 (E_RNA)
where:
Base-Base interactions energy: -534.526
where: short stacking energy: -241.586
Base-Backbone interact. energy: -0.829
local terms energy: -258.559793
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -68.377
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: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -784.102196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.102196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.102196 (E_RNA)
where:
Base-Base interactions energy: -523.400
where: short stacking energy: -241.918
Base-Backbone interact. energy: -1.655
local terms energy: -259.047518
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -71.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -626.625075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.625075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.625075 (E_RNA)
where:
Base-Base interactions energy: -414.939
where: short stacking energy: -189.128
Base-Backbone interact. energy: -0.435
local terms energy: -211.251320
where:
bonds (distance) C4'-P energy: -42.878
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -47.717
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -48.226
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: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -668.301733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.301733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.301733 (E_RNA)
where:
Base-Base interactions energy: -455.521
where: short stacking energy: -215.764
Base-Backbone interact. energy: 3.911
local terms energy: -216.691544
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -43.892
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -58.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -548.162693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.162693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.162693 (E_RNA)
where:
Base-Base interactions energy: -357.129
where: short stacking energy: -165.506
Base-Backbone interact. energy: 3.941
local terms energy: -194.974777
where:
bonds (distance) C4'-P energy: -36.168
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -334.235273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.235273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.235273 (E_RNA)
where:
Base-Base interactions energy: -166.382
where: short stacking energy: -107.602
Base-Backbone interact. energy: -1.346
local terms energy: -166.506610
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -36.944
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -226.640695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.640695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.640695 (E_RNA)
where:
Base-Base interactions energy: -84.435
where: short stacking energy: -81.341
Base-Backbone interact. energy: 1.736
local terms energy: -143.941449
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: 3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -900.389236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.389236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.389236 (E_RNA)
where:
Base-Base interactions energy: -618.194
where: short stacking energy: -266.632
Base-Backbone interact. energy: -1.188
local terms energy: -281.007368
where:
bonds (distance) C4'-P energy: -51.786
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -73.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -875.283265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.283265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.283265 (E_RNA)
where:
Base-Base interactions energy: -600.639
where: short stacking energy: -236.137
Base-Backbone interact. energy: -0.702
local terms energy: -273.941668
where:
bonds (distance) C4'-P energy: -49.567
bonds (distance) P-C4' energy: -56.803
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: -69.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -821.062153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.062153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.062153 (E_RNA)
where:
Base-Base interactions energy: -568.869
where: short stacking energy: -244.673
Base-Backbone interact. energy: -1.781
local terms energy: -250.411445
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -58.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -783.545691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.545691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.545691 (E_RNA)
where:
Base-Base interactions energy: -516.170
where: short stacking energy: -237.549
Base-Backbone interact. energy: -0.525
local terms energy: -266.850451
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -69.907
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: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -774.900179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.900179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.900179 (E_RNA)
where:
Base-Base interactions energy: -535.359
where: short stacking energy: -226.221
Base-Backbone interact. energy: -0.630
local terms energy: -238.911774
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -27.601
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: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -678.665437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.665437 (E_RNA)
where:
Base-Base interactions energy: -449.275
where: short stacking energy: -198.298
Base-Backbone interact. energy: -0.500
local terms energy: -228.889718
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -47.637
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -47.872
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: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -635.433985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.433985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.433985 (E_RNA)
where:
Base-Base interactions energy: -417.109
where: short stacking energy: -184.319
Base-Backbone interact. energy: -0.236
local terms energy: -218.088557
where:
bonds (distance) C4'-P energy: -44.711
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -31.262
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -596.860929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.860929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.860929 (E_RNA)
where:
Base-Base interactions energy: -412.093
where: short stacking energy: -172.679
Base-Backbone interact. energy: 0.049
local terms energy: -184.817285
where:
bonds (distance) C4'-P energy: -43.940
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -349.513363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.513363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.513363 (E_RNA)
where:
Base-Base interactions energy: -152.251
where: short stacking energy: -105.430
Base-Backbone interact. energy: -0.130
local terms energy: -197.132627
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -48.038
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -230.538813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.538813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.538813 (E_RNA)
where:
Base-Base interactions energy: -84.950
where: short stacking energy: -73.467
Base-Backbone interact. energy: 0.026
local terms energy: -145.614979
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -38.731
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: 3.816
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -876.736954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.736954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.736954 (E_RNA)
where:
Base-Base interactions energy: -603.904
where: short stacking energy: -261.909
Base-Backbone interact. energy: -2.525
local terms energy: -270.307646
where:
bonds (distance) C4'-P energy: -40.525
bonds (distance) P-C4' energy: -60.944
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -76.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -886.341100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.341100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.341100 (E_RNA)
where:
Base-Base interactions energy: -624.506
where: short stacking energy: -245.272
Base-Backbone interact. energy: -1.306
local terms energy: -260.528825
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -71.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -814.936030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.936030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.936030 (E_RNA)
where:
Base-Base interactions energy: -559.824
where: short stacking energy: -232.526
Base-Backbone interact. energy: -1.662
local terms energy: -253.450522
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -60.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -812.890858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.890858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.890858 (E_RNA)
where:
Base-Base interactions energy: -571.806
where: short stacking energy: -233.487
Base-Backbone interact. energy: 1.642
local terms energy: -242.726697
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -46.220
flat angles C4'-P-C4' energy: -46.237
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: -69.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -799.802200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.802200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.802200 (E_RNA)
where:
Base-Base interactions energy: -546.754
where: short stacking energy: -253.013
Base-Backbone interact. energy: -1.650
local terms energy: -251.397707
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -73.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -739.002393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.002393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.002393 (E_RNA)
where:
Base-Base interactions energy: -501.885
where: short stacking energy: -205.557
Base-Backbone interact. energy: -0.672
local terms energy: -236.444852
where:
bonds (distance) C4'-P energy: -48.400
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -36.651
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -709.628822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.628822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.628822 (E_RNA)
where:
Base-Base interactions energy: -463.647
where: short stacking energy: -203.114
Base-Backbone interact. energy: -0.537
local terms energy: -245.444599
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -48.497
tors. eta vs tors. theta energy: -56.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -630.170620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.170620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.170620 (E_RNA)
where:
Base-Base interactions energy: -433.661
where: short stacking energy: -179.346
Base-Backbone interact. energy: -0.590
local terms energy: -195.918888
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -51.001
flat angles P-C4'-P energy: -30.102
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: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -357.024851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.024851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.024851 (E_RNA)
where:
Base-Base interactions energy: -173.747
where: short stacking energy: -92.781
Base-Backbone interact. energy: -1.201
local terms energy: -182.076828
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -44.975
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -211.988486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.988486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.988486 (E_RNA)
where:
Base-Base interactions energy: -71.691
where: short stacking energy: -61.139
Base-Backbone interact. energy: 0.381
local terms energy: -140.677822
where:
bonds (distance) C4'-P energy: -44.044
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -43.437
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: 15.100
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -897.706984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.706984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.706984 (E_RNA)
where:
Base-Base interactions energy: -615.767
where: short stacking energy: -265.513
Base-Backbone interact. energy: 2.895
local terms energy: -284.835146
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -53.413
flat angles C4'-P-C4' energy: -62.605
flat angles P-C4'-P energy: -39.886
tors. eta vs tors. theta energy: -83.469
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -904.850194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.850194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.850194 (E_RNA)
where:
Base-Base interactions energy: -624.102
where: short stacking energy: -260.088
Base-Backbone interact. energy: -2.089
local terms energy: -278.659302
where:
bonds (distance) C4'-P energy: -52.509
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -47.946
tors. eta vs tors. theta energy: -70.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -828.656533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.656533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.656533 (E_RNA)
where:
Base-Base interactions energy: -582.105
where: short stacking energy: -250.232
Base-Backbone interact. energy: -1.941
local terms energy: -244.610710
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -66.957
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: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -812.984177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.984177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.984177 (E_RNA)
where:
Base-Base interactions energy: -554.322
where: short stacking energy: -232.360
Base-Backbone interact. energy: -0.093
local terms energy: -258.568740
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -54.420
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -64.381
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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -772.195895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.195895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.195895 (E_RNA)
where:
Base-Base interactions energy: -525.489
where: short stacking energy: -238.227
Base-Backbone interact. energy: -0.125
local terms energy: -246.581682
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -52.785
flat angles P-C4'-P energy: -32.161
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: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -753.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.218838 (E_RNA)
where:
Base-Base interactions energy: -504.864
where: short stacking energy: -216.255
Base-Backbone interact. energy: -1.683
local terms energy: -246.671686
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -55.523
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -633.701232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.701232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.701232 (E_RNA)
where:
Base-Base interactions energy: -415.622
where: short stacking energy: -195.812
Base-Backbone interact. energy: 0.121
local terms energy: -218.199729
where:
bonds (distance) C4'-P energy: -44.703
bonds (distance) P-C4' energy: -39.448
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -52.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -566.084393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.084393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.084393 (E_RNA)
where:
Base-Base interactions energy: -354.266
where: short stacking energy: -166.425
Base-Backbone interact. energy: -2.510
local terms energy: -209.307631
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -49.724
flat angles C4'-P-C4' energy: -47.317
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -37.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -349.763891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.763891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.763891 (E_RNA)
where:
Base-Base interactions energy: -174.132
where: short stacking energy: -95.783
Base-Backbone interact. energy: 1.859
local terms energy: -177.490125
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -48.841
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -12.493
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: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -224.138776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.138776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.138776 (E_RNA)
where:
Base-Base interactions energy: -69.084
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.740
local terms energy: -154.314525
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -45.330
flat angles C4'-P-C4' energy: -42.438
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: 2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -902.165803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.165803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.165803 (E_RNA)
where:
Base-Base interactions energy: -613.252
where: short stacking energy: -268.086
Base-Backbone interact. energy: -1.613
local terms energy: -287.300648
where:
bonds (distance) C4'-P energy: -56.659
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -83.113
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: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -899.243909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.243909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.243909 (E_RNA)
where:
Base-Base interactions energy: -625.420
where: short stacking energy: -259.675
Base-Backbone interact. energy: -0.511
local terms energy: -273.312605
where:
bonds (distance) C4'-P energy: -53.140
bonds (distance) P-C4' energy: -47.844
flat angles C4'-P-C4' energy: -60.752
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -68.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -822.809669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.809669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.809669 (E_RNA)
where:
Base-Base interactions energy: -554.794
where: short stacking energy: -239.458
Base-Backbone interact. energy: 1.182
local terms energy: -269.197858
where:
bonds (distance) C4'-P energy: -49.122
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -52.587
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -66.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -808.792676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.792676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.792676 (E_RNA)
where:
Base-Base interactions energy: -552.350
where: short stacking energy: -224.464
Base-Backbone interact. energy: -1.496
local terms energy: -254.946628
where:
bonds (distance) C4'-P energy: -49.679
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -51.618
flat angles P-C4'-P energy: -39.255
tors. eta vs tors. theta energy: -59.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -740.223663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.223663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.223663 (E_RNA)
where:
Base-Base interactions energy: -498.208
where: short stacking energy: -223.006
Base-Backbone interact. energy: -1.696
local terms energy: -240.319476
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -56.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -749.660228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.660228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.660228 (E_RNA)
where:
Base-Base interactions energy: -502.152
where: short stacking energy: -223.160
Base-Backbone interact. energy: -1.520
local terms energy: -245.988162
where:
bonds (distance) C4'-P energy: -49.605
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -62.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -579.999458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.999458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.999458 (E_RNA)
where:
Base-Base interactions energy: -371.560
where: short stacking energy: -172.355
Base-Backbone interact. energy: -0.957
local terms energy: -207.482369
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -52.984
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -42.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -584.990259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.990259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.990259 (E_RNA)
where:
Base-Base interactions energy: -395.357
where: short stacking energy: -171.460
Base-Backbone interact. energy: -0.023
local terms energy: -189.610146
where:
bonds (distance) C4'-P energy: -41.562
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -38.537
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: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -348.146854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.146854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.146854 (E_RNA)
where:
Base-Base interactions energy: -184.548
where: short stacking energy: -102.579
Base-Backbone interact. energy: -1.458
local terms energy: -162.140875
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -221.716748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.716748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.716748 (E_RNA)
where:
Base-Base interactions energy: -84.137
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.696
local terms energy: -136.882986
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: 7.000
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: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -894.783132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.783132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.783132 (E_RNA)
where:
Base-Base interactions energy: -598.765
where: short stacking energy: -272.913
Base-Backbone interact. energy: -0.341
local terms energy: -295.676579
where:
bonds (distance) C4'-P energy: -59.033
bonds (distance) P-C4' energy: -58.305
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -78.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -888.431166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.431166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.431166 (E_RNA)
where:
Base-Base interactions energy: -625.165
where: short stacking energy: -256.307
Base-Backbone interact. energy: 0.768
local terms energy: -264.034242
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: -68.531
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: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -835.007521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.007521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.007521 (E_RNA)
where:
Base-Base interactions energy: -576.726
where: short stacking energy: -234.129
Base-Backbone interact. energy: -0.678
local terms energy: -257.603235
where:
bonds (distance) C4'-P energy: -50.236
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -54.270
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -62.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -823.416834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.416834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.416834 (E_RNA)
where:
Base-Base interactions energy: -570.038
where: short stacking energy: -234.309
Base-Backbone interact. energy: -0.881
local terms energy: -252.498338
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -55.506
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -66.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -715.829210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.829210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.829210 (E_RNA)
where:
Base-Base interactions energy: -473.449
where: short stacking energy: -219.696
Base-Backbone interact. energy: -0.811
local terms energy: -241.569473
where:
bonds (distance) C4'-P energy: -41.784
bonds (distance) P-C4' energy: -56.176
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -51.788
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: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -682.502702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.502702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.502702 (E_RNA)
where:
Base-Base interactions energy: -467.675
where: short stacking energy: -206.154
Base-Backbone interact. energy: 0.092
local terms energy: -214.919243
where:
bonds (distance) C4'-P energy: -43.942
bonds (distance) P-C4' energy: -40.286
flat angles C4'-P-C4' energy: -45.856
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -54.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -614.961140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.961140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.961140 (E_RNA)
where:
Base-Base interactions energy: -403.823
where: short stacking energy: -184.557
Base-Backbone interact. energy: 1.449
local terms energy: -212.587094
where:
bonds (distance) C4'-P energy: -40.477
bonds (distance) P-C4' energy: -50.979
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -601.514614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.514614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.514614 (E_RNA)
where:
Base-Base interactions energy: -378.158
where: short stacking energy: -168.289
Base-Backbone interact. energy: -0.765
local terms energy: -222.591242
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -50.716
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -44.766
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: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -347.709011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.709011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.709011 (E_RNA)
where:
Base-Base interactions energy: -193.319
where: short stacking energy: -103.461
Base-Backbone interact. energy: 1.571
local terms energy: -155.961398
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -48.684
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -9.075
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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -229.151888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.151888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.151888 (E_RNA)
where:
Base-Base interactions energy: -86.786
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.030
local terms energy: -142.335760
where:
bonds (distance) C4'-P energy: -37.572
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -22.231
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: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -913.422745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.422745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.422745 (E_RNA)
where:
Base-Base interactions energy: -652.335
where: short stacking energy: -255.747
Base-Backbone interact. energy: -0.563
local terms energy: -260.524700
where:
bonds (distance) C4'-P energy: -49.590
bonds (distance) P-C4' energy: -55.300
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -70.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -866.461001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.461001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.461001 (E_RNA)
where:
Base-Base interactions energy: -584.989
where: short stacking energy: -251.412
Base-Backbone interact. energy: -1.379
local terms energy: -280.093042
where:
bonds (distance) C4'-P energy: -49.848
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -79.945
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -825.125791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.125791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.125791 (E_RNA)
where:
Base-Base interactions energy: -571.242
where: short stacking energy: -236.498
Base-Backbone interact. energy: -1.711
local terms energy: -252.172741
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -42.814
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -33.750
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: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -804.002360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.002360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.002360 (E_RNA)
where:
Base-Base interactions energy: -553.475
where: short stacking energy: -235.803
Base-Backbone interact. energy: 0.469
local terms energy: -250.996307
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -49.595
flat angles C4'-P-C4' energy: -50.932
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -58.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -727.915528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.915528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.915528 (E_RNA)
where:
Base-Base interactions energy: -481.220
where: short stacking energy: -224.507
Base-Backbone interact. energy: -0.495
local terms energy: -246.200537
where:
bonds (distance) C4'-P energy: -50.169
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -45.527
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -56.737
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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -676.780133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.780133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.780133 (E_RNA)
where:
Base-Base interactions energy: -449.660
where: short stacking energy: -218.996
Base-Backbone interact. energy: -1.131
local terms energy: -225.989458
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -52.816
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -53.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -619.398323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.398323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.398323 (E_RNA)
where:
Base-Base interactions energy: -397.769
where: short stacking energy: -183.479
Base-Backbone interact. energy: -1.239
local terms energy: -220.390756
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -48.042
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: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -562.394089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.394089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.394089 (E_RNA)
where:
Base-Base interactions energy: -368.033
where: short stacking energy: -153.396
Base-Backbone interact. energy: 1.118
local terms energy: -195.479269
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -28.421
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: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -421.110930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.110930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.110930 (E_RNA)
where:
Base-Base interactions energy: -249.137
where: short stacking energy: -125.027
Base-Backbone interact. energy: -1.096
local terms energy: -170.878874
where:
bonds (distance) C4'-P energy: -48.380
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -228.477743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477743 (E_RNA)
where:
Base-Base interactions energy: -71.354
where: short stacking energy: -66.874
Base-Backbone interact. energy: -1.245
local terms energy: -155.878136
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -36.850
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: 5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -922.052530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.052530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.052530 (E_RNA)
where:
Base-Base interactions energy: -646.390
where: short stacking energy: -256.832
Base-Backbone interact. energy: 2.336
local terms energy: -277.997963
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -56.849
flat angles C4'-P-C4' energy: -57.888
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -70.234
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -873.657216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.657216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.657216 (E_RNA)
where:
Base-Base interactions energy: -610.644
where: short stacking energy: -275.413
Base-Backbone interact. energy: -0.495
local terms energy: -262.517993
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -67.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -846.328284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.328284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.328284 (E_RNA)
where:
Base-Base interactions energy: -563.460
where: short stacking energy: -254.473
Base-Backbone interact. energy: -1.068
local terms energy: -281.799996
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -77.807
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: 457
Temperature: 1.050000
Total energy: -772.138917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.138917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.138917 (E_RNA)
where:
Base-Base interactions energy: -518.394
where: short stacking energy: -241.130
Base-Backbone interact. energy: -0.926
local terms energy: -252.818921
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -44.530
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: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -714.303850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.303850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.303850 (E_RNA)
where:
Base-Base interactions energy: -470.137
where: short stacking energy: -221.970
Base-Backbone interact. energy: -0.718
local terms energy: -243.449014
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -40.975
tors. eta vs tors. theta energy: -54.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -688.411810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.411810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.411810 (E_RNA)
where:
Base-Base interactions energy: -471.834
where: short stacking energy: -193.266
Base-Backbone interact. energy: -0.790
local terms energy: -215.787326
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -49.755
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -37.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -607.410689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.410689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.410689 (E_RNA)
where:
Base-Base interactions energy: -377.373
where: short stacking energy: -165.161
Base-Backbone interact. energy: -1.844
local terms energy: -228.194524
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -562.094982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.094982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.094982 (E_RNA)
where:
Base-Base interactions energy: -357.629
where: short stacking energy: -167.158
Base-Backbone interact. energy: -0.627
local terms energy: -203.839350
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -45.534
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -417.545977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.545977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.545977 (E_RNA)
where:
Base-Base interactions energy: -255.802
where: short stacking energy: -118.886
Base-Backbone interact. energy: -0.676
local terms energy: -161.068184
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -219.573715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.573715 (E_RNA)
where:
Base-Base interactions energy: -85.368
where: short stacking energy: -62.224
Base-Backbone interact. energy: 0.926
local terms energy: -135.131142
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: 7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -918.324125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.324125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.324125 (E_RNA)
where:
Base-Base interactions energy: -631.607
where: short stacking energy: -266.386
Base-Backbone interact. energy: -1.342
local terms energy: -285.375547
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -80.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -872.353733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.353733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.353733 (E_RNA)
where:
Base-Base interactions energy: -602.775
where: short stacking energy: -262.996
Base-Backbone interact. energy: -1.183
local terms energy: -268.396426
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -57.211
flat angles P-C4'-P energy: -42.757
tors. eta vs tors. theta energy: -64.246
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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -842.336282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.336282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.336282 (E_RNA)
where:
Base-Base interactions energy: -559.745
where: short stacking energy: -270.121
Base-Backbone interact. energy: -0.206
local terms energy: -282.386170
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -58.153
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -81.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -795.923825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.923825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.923825 (E_RNA)
where:
Base-Base interactions energy: -540.167
where: short stacking energy: -227.984
Base-Backbone interact. energy: 0.865
local terms energy: -256.621764
where:
bonds (distance) C4'-P energy: -56.245
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -67.143
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: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -756.611423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.611423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.611423 (E_RNA)
where:
Base-Base interactions energy: -510.214
where: short stacking energy: -228.888
Base-Backbone interact. energy: -0.544
local terms energy: -245.852800
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -58.957
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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -696.470754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.470754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.470754 (E_RNA)
where:
Base-Base interactions energy: -458.999
where: short stacking energy: -198.009
Base-Backbone interact. energy: -3.220
local terms energy: -234.251248
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -48.937
flat angles C4'-P-C4' energy: -48.556
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -584.441454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.441454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.441454 (E_RNA)
where:
Base-Base interactions energy: -374.283
where: short stacking energy: -166.522
Base-Backbone interact. energy: 2.803
local terms energy: -212.961503
where:
bonds (distance) C4'-P energy: -41.821
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -39.494
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: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -519.837374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.837374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.837374 (E_RNA)
where:
Base-Base interactions energy: -327.611
where: short stacking energy: -129.143
Base-Backbone interact. energy: 2.185
local terms energy: -194.411583
where:
bonds (distance) C4'-P energy: -46.109
bonds (distance) P-C4' energy: -46.280
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -393.541348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.541348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.541348 (E_RNA)
where:
Base-Base interactions energy: -226.637
where: short stacking energy: -114.376
Base-Backbone interact. energy: -0.796
local terms energy: -166.108519
where:
bonds (distance) C4'-P energy: -44.610
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -239.414781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.414781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.414781 (E_RNA)
where:
Base-Base interactions energy: -89.017
where: short stacking energy: -75.825
Base-Backbone interact. energy: 1.962
local terms energy: -152.359422
where:
bonds (distance) C4'-P energy: -42.024
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -916.212938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.212938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.212938 (E_RNA)
where:
Base-Base interactions energy: -646.801
where: short stacking energy: -270.317
Base-Backbone interact. energy: -1.629
local terms energy: -267.783674
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -53.040
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -73.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -862.399780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.399780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.399780 (E_RNA)
where:
Base-Base interactions energy: -586.139
where: short stacking energy: -258.579
Base-Backbone interact. energy: 2.103
local terms energy: -278.364523
where:
bonds (distance) C4'-P energy: -55.696
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -70.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -835.190180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.190180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.190180 (E_RNA)
where:
Base-Base interactions energy: -563.860
where: short stacking energy: -248.399
Base-Backbone interact. energy: -1.394
local terms energy: -269.936170
where:
bonds (distance) C4'-P energy: -44.395
bonds (distance) P-C4' energy: -56.539
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -69.818
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: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -743.326582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.326582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.326582 (E_RNA)
where:
Base-Base interactions energy: -499.397
where: short stacking energy: -232.367
Base-Backbone interact. energy: 0.058
local terms energy: -243.987268
where:
bonds (distance) C4'-P energy: -53.815
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -55.875
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -60.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -796.662162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.662162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.662162 (E_RNA)
where:
Base-Base interactions energy: -528.021
where: short stacking energy: -239.488
Base-Backbone interact. energy: -0.159
local terms energy: -268.481650
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -70.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -737.381748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.381748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.381748 (E_RNA)
where:
Base-Base interactions energy: -513.623
where: short stacking energy: -219.219
Base-Backbone interact. energy: -1.160
local terms energy: -222.598363
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -45.372
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -51.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -606.427885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.427885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.427885 (E_RNA)
where:
Base-Base interactions energy: -393.419
where: short stacking energy: -175.687
Base-Backbone interact. energy: -0.067
local terms energy: -212.941637
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -43.514
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -46.567
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: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -538.980439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.980439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.980439 (E_RNA)
where:
Base-Base interactions energy: -365.579
where: short stacking energy: -152.921
Base-Backbone interact. energy: 0.294
local terms energy: -173.694959
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -27.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -381.556765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.556765 (E_RNA)
where:
Base-Base interactions energy: -187.903
where: short stacking energy: -104.983
Base-Backbone interact. energy: -0.844
local terms energy: -192.810357
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -14.418
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: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -245.905072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.905072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.905072 (E_RNA)
where:
Base-Base interactions energy: -91.577
where: short stacking energy: -73.063
Base-Backbone interact. energy: -1.087
local terms energy: -153.240982
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -10.421
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: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -910.866418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.866418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.866418 (E_RNA)
where:
Base-Base interactions energy: -634.850
where: short stacking energy: -257.249
Base-Backbone interact. energy: -1.385
local terms energy: -274.631661
where:
bonds (distance) C4'-P energy: -46.625
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -58.957
flat angles P-C4'-P energy: -42.339
tors. eta vs tors. theta energy: -74.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -886.334320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.334320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.334320 (E_RNA)
where:
Base-Base interactions energy: -592.979
where: short stacking energy: -258.350
Base-Backbone interact. energy: -3.157
local terms energy: -290.198426
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -62.589
flat angles P-C4'-P energy: -42.374
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -826.592919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.592919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.592919 (E_RNA)
where:
Base-Base interactions energy: -558.587
where: short stacking energy: -251.871
Base-Backbone interact. energy: -0.990
local terms energy: -267.016209
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -73.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -775.742314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.742314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.742314 (E_RNA)
where:
Base-Base interactions energy: -515.230
where: short stacking energy: -214.183
Base-Backbone interact. energy: 0.417
local terms energy: -260.929721
where:
bonds (distance) C4'-P energy: -45.586
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -58.954
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: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -753.312469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.312469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.312469 (E_RNA)
where:
Base-Base interactions energy: -526.672
where: short stacking energy: -222.475
Base-Backbone interact. energy: -1.177
local terms energy: -225.463772
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -41.176
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -745.991907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.991907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.991907 (E_RNA)
where:
Base-Base interactions energy: -513.073
where: short stacking energy: -215.083
Base-Backbone interact. energy: 0.159
local terms energy: -233.078239
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -49.555
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -57.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -631.375886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.375886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.375886 (E_RNA)
where:
Base-Base interactions energy: -395.791
where: short stacking energy: -199.756
Base-Backbone interact. energy: -0.658
local terms energy: -234.926476
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -50.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -558.000279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.000279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.000279 (E_RNA)
where:
Base-Base interactions energy: -371.974
where: short stacking energy: -157.422
Base-Backbone interact. energy: 1.427
local terms energy: -187.453462
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -39.430
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -31.244
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -375.643378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.643378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.643378 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -117.102
Base-Backbone interact. energy: -0.823
local terms energy: -161.448104
where:
bonds (distance) C4'-P energy: -43.861
bonds (distance) P-C4' energy: -40.351
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -220.720886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.720886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.720886 (E_RNA)
where:
Base-Base interactions energy: -70.532
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.061
local terms energy: -150.127702
where:
bonds (distance) C4'-P energy: -51.590
bonds (distance) P-C4' energy: -45.475
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: 3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -931.442835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.442835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.442835 (E_RNA)
where:
Base-Base interactions energy: -653.170
where: short stacking energy: -262.084
Base-Backbone interact. energy: 0.350
local terms energy: -278.622232
where:
bonds (distance) C4'-P energy: -59.595
bonds (distance) P-C4' energy: -47.870
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -71.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -892.505431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.505431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.505431 (E_RNA)
where:
Base-Base interactions energy: -624.427
where: short stacking energy: -247.654
Base-Backbone interact. energy: 0.270
local terms energy: -268.348169
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -44.268
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -69.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -859.917147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.917147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.917147 (E_RNA)
where:
Base-Base interactions energy: -592.801
where: short stacking energy: -249.553
Base-Backbone interact. energy: 0.272
local terms energy: -267.388345
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -38.422
tors. eta vs tors. theta energy: -70.688
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: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -809.317912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.317912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.317912 (E_RNA)
where:
Base-Base interactions energy: -541.249
where: short stacking energy: -228.018
Base-Backbone interact. energy: -0.476
local terms energy: -267.592855
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -53.136
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -71.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -785.155277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.155277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.155277 (E_RNA)
where:
Base-Base interactions energy: -523.243
where: short stacking energy: -229.200
Base-Backbone interact. energy: -1.129
local terms energy: -260.782959
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -68.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -708.847187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.847187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.847187 (E_RNA)
where:
Base-Base interactions energy: -493.784
where: short stacking energy: -199.098
Base-Backbone interact. energy: -0.575
local terms energy: -214.488925
where:
bonds (distance) C4'-P energy: -43.620
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -51.528
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -47.954
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: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -597.314790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.314790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.314790 (E_RNA)
where:
Base-Base interactions energy: -388.354
where: short stacking energy: -176.630
Base-Backbone interact. energy: 0.183
local terms energy: -209.142988
where:
bonds (distance) C4'-P energy: -46.187
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -38.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -514.817187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.817187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.817187 (E_RNA)
where:
Base-Base interactions energy: -325.043
where: short stacking energy: -139.578
Base-Backbone interact. energy: 1.082
local terms energy: -190.856934
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -51.820
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -291.739813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.739813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.739813 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -87.378
Base-Backbone interact. energy: 5.573
local terms energy: -152.297475
where:
bonds (distance) C4'-P energy: -52.700
bonds (distance) P-C4' energy: -44.051
flat angles C4'-P-C4' energy: -37.021
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: 7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -230.307169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.307169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.307169 (E_RNA)
where:
Base-Base interactions energy: -87.041
where: short stacking energy: -66.028
Base-Backbone interact. energy: 1.128
local terms energy: -144.394412
where:
bonds (distance) C4'-P energy: -44.919
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: 6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -926.076312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.076312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.076312 (E_RNA)
where:
Base-Base interactions energy: -646.985
where: short stacking energy: -269.034
Base-Backbone interact. energy: -0.142
local terms energy: -278.949993
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -59.382
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -74.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -887.244587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.244587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.244587 (E_RNA)
where:
Base-Base interactions energy: -623.672
where: short stacking energy: -260.921
Base-Backbone interact. energy: -0.145
local terms energy: -263.426968
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -51.572
flat angles P-C4'-P energy: -36.469
tors. eta vs tors. theta energy: -72.372
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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -819.909771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.909771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.909771 (E_RNA)
where:
Base-Base interactions energy: -560.948
where: short stacking energy: -244.316
Base-Backbone interact. energy: -1.428
local terms energy: -257.534206
where:
bonds (distance) C4'-P energy: -41.303
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -72.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -799.987765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.987765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.987765 (E_RNA)
where:
Base-Base interactions energy: -546.707
where: short stacking energy: -254.878
Base-Backbone interact. energy: -1.870
local terms energy: -251.411456
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -39.320
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -72.539
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: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -778.680360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.680360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.680360 (E_RNA)
where:
Base-Base interactions energy: -545.728
where: short stacking energy: -234.711
Base-Backbone interact. energy: -0.382
local terms energy: -232.570361
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -66.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -715.918384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.918384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.918384 (E_RNA)
where:
Base-Base interactions energy: -467.042
where: short stacking energy: -216.825
Base-Backbone interact. energy: 0.559
local terms energy: -249.435512
where:
bonds (distance) C4'-P energy: -50.963
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -49.391
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -63.793
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: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -608.598759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.598759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.598759 (E_RNA)
where:
Base-Base interactions energy: -400.844
where: short stacking energy: -180.566
Base-Backbone interact. energy: -0.516
local terms energy: -207.238729
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -47.383
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -37.514
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: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -512.774116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.774116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.774116 (E_RNA)
where:
Base-Base interactions energy: -332.359
where: short stacking energy: -153.955
Base-Backbone interact. energy: 1.117
local terms energy: -181.532325
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -47.186
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -36.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -328.181968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.181968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.181968 (E_RNA)
where:
Base-Base interactions energy: -149.966
where: short stacking energy: -89.405
Base-Backbone interact. energy: -0.607
local terms energy: -177.609495
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -52.603
flat angles C4'-P-C4' energy: -44.513
flat angles P-C4'-P energy: -34.980
tors. eta vs tors. theta energy: -3.315
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: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -254.926747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.926747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.926747 (E_RNA)
where:
Base-Base interactions energy: -117.217
where: short stacking energy: -74.547
Base-Backbone interact. energy: -1.328
local terms energy: -136.381258
where:
bonds (distance) C4'-P energy: -51.326
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: 4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -913.807163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.807163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.807163 (E_RNA)
where:
Base-Base interactions energy: -631.920
where: short stacking energy: -265.302
Base-Backbone interact. energy: -1.531
local terms energy: -280.356247
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: -79.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -901.438599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.438599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.438599 (E_RNA)
where:
Base-Base interactions energy: -618.878
where: short stacking energy: -261.804
Base-Backbone interact. energy: -1.554
local terms energy: -281.007083
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -56.526
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -73.956
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -832.618985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.618985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.618985 (E_RNA)
where:
Base-Base interactions energy: -553.039
where: short stacking energy: -255.243
Base-Backbone interact. energy: -0.279
local terms energy: -279.301040
where:
bonds (distance) C4'-P energy: -54.451
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -69.262
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -800.067369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.067369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.067369 (E_RNA)
where:
Base-Base interactions energy: -562.730
where: short stacking energy: -232.721
Base-Backbone interact. energy: -1.073
local terms energy: -236.264007
where:
bonds (distance) C4'-P energy: -42.696
bonds (distance) P-C4' energy: -50.599
flat angles C4'-P-C4' energy: -46.933
flat angles P-C4'-P energy: -34.971
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: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -787.843974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.843974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.843974 (E_RNA)
where:
Base-Base interactions energy: -530.443
where: short stacking energy: -245.941
Base-Backbone interact. energy: -0.661
local terms energy: -256.740161
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -67.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -732.157979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.157979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.157979 (E_RNA)
where:
Base-Base interactions energy: -486.119
where: short stacking energy: -208.430
Base-Backbone interact. energy: -1.205
local terms energy: -244.833354
where:
bonds (distance) C4'-P energy: -52.744
bonds (distance) P-C4' energy: -46.318
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -36.323
tors. eta vs tors. theta energy: -59.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -624.199963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.199963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.199963 (E_RNA)
where:
Base-Base interactions energy: -404.116
where: short stacking energy: -177.928
Base-Backbone interact. energy: 1.277
local terms energy: -221.360986
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: -43.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -539.245156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.245156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.245156 (E_RNA)
where:
Base-Base interactions energy: -331.262
where: short stacking energy: -139.700
Base-Backbone interact. energy: -0.833
local terms energy: -207.150870
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -46.566
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -42.587
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: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -246.702575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.702575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.702575 (E_RNA)
where:
Base-Base interactions energy: -86.159
where: short stacking energy: -85.510
Base-Backbone interact. energy: -0.991
local terms energy: -159.552113
where:
bonds (distance) C4'-P energy: -42.226
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -43.182
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -0.421
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: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -251.410857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.410857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.410857 (E_RNA)
where:
Base-Base interactions energy: -107.277
where: short stacking energy: -77.251
Base-Backbone interact. energy: 0.900
local terms energy: -145.033832
where:
bonds (distance) C4'-P energy: -46.038
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: 5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -919.785777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.785777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.785777 (E_RNA)
where:
Base-Base interactions energy: -625.501
where: short stacking energy: -251.203
Base-Backbone interact. energy: -0.016
local terms energy: -294.269086
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -59.696
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -72.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -888.503365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.503365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.503365 (E_RNA)
where:
Base-Base interactions energy: -625.214
where: short stacking energy: -261.794
Base-Backbone interact. energy: 0.727
local terms energy: -264.016712
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -52.420
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -74.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -824.347288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.347288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.347288 (E_RNA)
where:
Base-Base interactions energy: -559.740
where: short stacking energy: -250.773
Base-Backbone interact. energy: 2.204
local terms energy: -266.811761
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -66.017
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -808.563381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.563381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.563381 (E_RNA)
where:
Base-Base interactions energy: -539.955
where: short stacking energy: -243.626
Base-Backbone interact. energy: -0.743
local terms energy: -267.865404
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -58.893
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -70.572
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: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -762.226602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.226602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.226602 (E_RNA)
where:
Base-Base interactions energy: -513.390
where: short stacking energy: -225.331
Base-Backbone interact. energy: -1.276
local terms energy: -247.560320
where:
bonds (distance) C4'-P energy: -54.381
bonds (distance) P-C4' energy: -39.669
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -60.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -721.900621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.900621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.900621 (E_RNA)
where:
Base-Base interactions energy: -487.711
where: short stacking energy: -206.608
Base-Backbone interact. energy: -1.373
local terms energy: -232.816361
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -45.165
flat angles C4'-P-C4' energy: -55.594
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -53.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -565.590528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.590528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.590528 (E_RNA)
where:
Base-Base interactions energy: -365.645
where: short stacking energy: -180.230
Base-Backbone interact. energy: -0.336
local terms energy: -199.609739
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -551.723267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.723267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.723267 (E_RNA)
where:
Base-Base interactions energy: -348.052
where: short stacking energy: -149.369
Base-Backbone interact. energy: 1.148
local terms energy: -204.819095
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -27.129
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: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -282.087587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.087587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.087587 (E_RNA)
where:
Base-Base interactions energy: -114.721
where: short stacking energy: -88.872
Base-Backbone interact. energy: -1.304
local terms energy: -166.062942
where:
bonds (distance) C4'-P energy: -56.265
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -44.994
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -13.424
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: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -221.576746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.576746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.576746 (E_RNA)
where:
Base-Base interactions energy: -100.843
where: short stacking energy: -63.792
Base-Backbone interact. energy: 3.309
local terms energy: -124.042962
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -44.049
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: 8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -906.075792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.075792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.075792 (E_RNA)
where:
Base-Base interactions energy: -635.416
where: short stacking energy: -273.264
Base-Backbone interact. energy: -0.294
local terms energy: -270.366096
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -52.972
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -75.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -913.395845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.395845 (E_RNA)
where:
Base-Base interactions energy: -646.815
where: short stacking energy: -281.225
Base-Backbone interact. energy: -1.150
local terms energy: -265.430259
where:
bonds (distance) C4'-P energy: -48.308
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -75.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -820.072468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.072468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.072468 (E_RNA)
where:
Base-Base interactions energy: -558.410
where: short stacking energy: -262.314
Base-Backbone interact. energy: -0.604
local terms energy: -261.058131
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -52.265
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -72.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -803.677083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.677083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.677083 (E_RNA)
where:
Base-Base interactions energy: -539.901
where: short stacking energy: -259.525
Base-Backbone interact. energy: -1.020
local terms energy: -262.756393
where:
bonds (distance) C4'-P energy: -48.380
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -72.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -739.432053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.432053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.432053 (E_RNA)
where:
Base-Base interactions energy: -507.466
where: short stacking energy: -216.448
Base-Backbone interact. energy: -1.260
local terms energy: -230.706416
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -28.915
tors. eta vs tors. theta energy: -55.610
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -715.728361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.728361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.728361 (E_RNA)
where:
Base-Base interactions energy: -485.519
where: short stacking energy: -213.224
Base-Backbone interact. energy: -1.011
local terms energy: -229.198568
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -45.878
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -60.663
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: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -584.840767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.840767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.840767 (E_RNA)
where:
Base-Base interactions energy: -382.616
where: short stacking energy: -184.574
Base-Backbone interact. energy: -2.035
local terms energy: -200.189898
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -38.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -529.910755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.910755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.910755 (E_RNA)
where:
Base-Base interactions energy: -325.902
where: short stacking energy: -144.551
Base-Backbone interact. energy: 0.091
local terms energy: -204.099150
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -43.752
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -26.180
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -245.964189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.964189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.964189 (E_RNA)
where:
Base-Base interactions energy: -99.479
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.207
local terms energy: -146.277846
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: 6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -232.144660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.144660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.144660 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -69.487
Base-Backbone interact. energy: 4.121
local terms energy: -133.332155
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: 5.823
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: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -919.121280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.121280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.121280 (E_RNA)
where:
Base-Base interactions energy: -642.924
where: short stacking energy: -255.721
Base-Backbone interact. energy: -2.822
local terms energy: -273.375334
where:
bonds (distance) C4'-P energy: -55.213
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -51.841
flat angles P-C4'-P energy: -39.430
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: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -921.883617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.883617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.883617 (E_RNA)
where:
Base-Base interactions energy: -638.674
where: short stacking energy: -263.966
Base-Backbone interact. energy: -1.825
local terms energy: -281.384748
where:
bonds (distance) C4'-P energy: -46.996
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -58.063
flat angles P-C4'-P energy: -45.966
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -829.437353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.437353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.437353 (E_RNA)
where:
Base-Base interactions energy: -545.961
where: short stacking energy: -250.691
Base-Backbone interact. energy: 0.511
local terms energy: -283.987411
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -55.389
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -45.671
tors. eta vs tors. theta energy: -75.759
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: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -812.611016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.611016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.611016 (E_RNA)
where:
Base-Base interactions energy: -566.041
where: short stacking energy: -251.393
Base-Backbone interact. energy: -0.827
local terms energy: -245.742833
where:
bonds (distance) C4'-P energy: -41.691
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -36.636
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: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -755.771475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.771475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.771475 (E_RNA)
where:
Base-Base interactions energy: -519.302
where: short stacking energy: -226.254
Base-Backbone interact. energy: -1.507
local terms energy: -234.961762
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -28.304
tors. eta vs tors. theta energy: -61.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -746.781440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.781440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.781440 (E_RNA)
where:
Base-Base interactions energy: -512.174
where: short stacking energy: -212.590
Base-Backbone interact. energy: 0.255
local terms energy: -234.861866
where:
bonds (distance) C4'-P energy: -41.501
bonds (distance) P-C4' energy: -51.123
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -58.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -582.716142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.716142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.716142 (E_RNA)
where:
Base-Base interactions energy: -378.151
where: short stacking energy: -176.741
Base-Backbone interact. energy: -0.882
local terms energy: -203.683878
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -44.449
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -32.473
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: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -558.552752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.552752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.552752 (E_RNA)
where:
Base-Base interactions energy: -359.288
where: short stacking energy: -168.349
Base-Backbone interact. energy: -1.442
local terms energy: -197.822332
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -36.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -243.197009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.197009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.197009 (E_RNA)
where:
Base-Base interactions energy: -108.960
where: short stacking energy: -91.986
Base-Backbone interact. energy: 3.584
local terms energy: -137.821102
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: 2.895
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: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -298.677163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.677163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.677163 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -98.127
Base-Backbone interact. energy: 0.590
local terms energy: -147.663379
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -7.663
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)
out arg RESULTS//1/Denv4_dominio3_RNAco-94604a9a_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -922.126772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.126772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.126772 (E_RNA)
where:
Base-Base interactions energy: -657.986
where: short stacking energy: -272.390
Base-Backbone interact. energy: -0.160
local terms energy: -263.981172
where:
bonds (distance) C4'-P energy: -49.275
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -70.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -892.293250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.293250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.293250 (E_RNA)
where:
Base-Base interactions energy: -613.121
where: short stacking energy: -265.340
Base-Backbone interact. energy: -0.516
local terms energy: -278.656992
where:
bonds (distance) C4'-P energy: -46.087
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -56.884
flat angles P-C4'-P energy: -43.188
tors. eta vs tors. theta energy: -80.380
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: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -843.016782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.016782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.016782 (E_RNA)
where:
Base-Base interactions energy: -572.072
where: short stacking energy: -250.947
Base-Backbone interact. energy: 0.303
local terms energy: -271.247355
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -52.961
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -74.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -818.264456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.264456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.264456 (E_RNA)
where:
Base-Base interactions energy: -549.392
where: short stacking energy: -241.254
Base-Backbone interact. energy: -1.142
local terms energy: -267.730504
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -51.525
flat angles C4'-P-C4' energy: -57.474
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -64.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -771.058885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.058885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.058885 (E_RNA)
where:
Base-Base interactions energy: -519.180
where: short stacking energy: -233.614
Base-Backbone interact. energy: 2.748
local terms energy: -254.626978
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -54.142
flat angles C4'-P-C4' energy: -58.744
flat angles P-C4'-P energy: -39.929
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -764.455395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.455395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.455395 (E_RNA)
where:
Base-Base interactions energy: -519.678
where: short stacking energy: -237.604
Base-Backbone interact. energy: 1.222
local terms energy: -245.999967
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -32.914
tors. eta vs tors. theta energy: -77.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -615.852692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.852692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.852692 (E_RNA)
where:
Base-Base interactions energy: -394.816
where: short stacking energy: -182.805
Base-Backbone interact. energy: 0.560
local terms energy: -221.596729
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -49.381
flat angles P-C4'-P energy: -32.377
tors. eta vs tors. theta energy: -49.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -569.340164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.340164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.340164 (E_RNA)
where:
Base-Base interactions energy: -375.382
where: short stacking energy: -168.853
Base-Backbone interact. energy: 3.261
local terms energy: -197.218490
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -42.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -235.290035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.290035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.290035 (E_RNA)
where:
Base-Base interactions energy: -78.823
where: short stacking energy: -59.075
Base-Backbone interact. energy: -1.845
local terms energy: -154.621808
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -45.674
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: 3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -298.760896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.760896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.760896 (E_RNA)
where:
Base-Base interactions energy: -144.577
where: short stacking energy: -84.758
Base-Backbone interact. energy: 0.529
local terms energy: -154.712540
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -4.106
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)