SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 82 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv3_dominio3_Simrn-576bfeb8/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: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1011.699834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.699834 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -301.242
Base-Backbone interact. energy: 0.063
local terms energy: -324.401535
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -70.137
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -91.828
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1019.443407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.443407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.443407 (E_RNA)
where:
Base-Base interactions energy: -697.812
where: short stacking energy: -308.873
Base-Backbone interact. energy: 0.394
local terms energy: -322.024935
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -67.517
flat angles C4'-P-C4' energy: -63.641
flat angles P-C4'-P energy: -50.001
tors. eta vs tors. theta energy: -92.944
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1018.356408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.356408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.356408 (E_RNA)
where:
Base-Base interactions energy: -695.275
where: short stacking energy: -306.525
Base-Backbone interact. energy: 0.461
local terms energy: -323.541691
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -64.400
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -92.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1015.760989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.760989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.760989 (E_RNA)
where:
Base-Base interactions energy: -693.559
where: short stacking energy: -305.334
Base-Backbone interact. energy: 0.513
local terms energy: -322.715042
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1015.621057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.621057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.621057 (E_RNA)
where:
Base-Base interactions energy: -693.558
where: short stacking energy: -305.334
Base-Backbone interact. energy: 0.564
local terms energy: -322.626650
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -63.703
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -92.051
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1014.981106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.981106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.981106 (E_RNA)
where:
Base-Base interactions energy: -693.082
where: short stacking energy: -305.450
Base-Backbone interact. energy: 0.612
local terms energy: -322.510725
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -63.703
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1015.211000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.211000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.211000 (E_RNA)
where:
Base-Base interactions energy: -693.324
where: short stacking energy: -305.692
Base-Backbone interact. energy: 0.658
local terms energy: -322.544887
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1014.928194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.928194 (E_RNA)
where:
Base-Base interactions energy: -693.066
where: short stacking energy: -305.805
Base-Backbone interact. energy: 0.702
local terms energy: -322.563926
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -63.757
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -92.051
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1015.185808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.185808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.185808 (E_RNA)
where:
Base-Base interactions energy: -692.858
where: short stacking energy: -305.594
Base-Backbone interact. energy: 0.744
local terms energy: -323.071095
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -92.182
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: 2
Temperature: 1.300000
Total energy: -1015.627247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.627247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.627247 (E_RNA)
where:
Base-Base interactions energy: -693.339
where: short stacking energy: -306.075
Base-Backbone interact. energy: 0.783
local terms energy: -323.071095
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -92.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1015.828475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.828475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.828475 (E_RNA)
where:
Base-Base interactions energy: -693.338
where: short stacking energy: -306.073
Base-Backbone interact. energy: 0.820
local terms energy: -323.310548
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -92.421
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -955.110951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.110951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.110951 (E_RNA)
where:
Base-Base interactions energy: -647.331
where: short stacking energy: -277.732
Base-Backbone interact. energy: -0.396
local terms energy: -307.383756
where:
bonds (distance) C4'-P energy: -54.540
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -61.808
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -91.725
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -958.061481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.061481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.061481 (E_RNA)
where:
Base-Base interactions energy: -666.692
where: short stacking energy: -280.997
Base-Backbone interact. energy: 1.428
local terms energy: -292.796692
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -61.685
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -88.105
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: 3
Temperature: 1.000000
Total energy: -926.819455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.819455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.819455 (E_RNA)
where:
Base-Base interactions energy: -649.222
where: short stacking energy: -284.893
Base-Backbone interact. energy: -1.278
local terms energy: -276.319530
where:
bonds (distance) C4'-P energy: -41.391
bonds (distance) P-C4' energy: -59.167
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: -78.724
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -907.660718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.660718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.660718 (E_RNA)
where:
Base-Base interactions energy: -628.332
where: short stacking energy: -271.450
Base-Backbone interact. energy: -1.072
local terms energy: -278.256159
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -49.731
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -84.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -854.498460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.498460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.498460 (E_RNA)
where:
Base-Base interactions energy: -582.539
where: short stacking energy: -246.448
Base-Backbone interact. energy: 1.006
local terms energy: -272.965367
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -38.078
tors. eta vs tors. theta energy: -80.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -859.839095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.839095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.839095 (E_RNA)
where:
Base-Base interactions energy: -578.518
where: short stacking energy: -241.916
Base-Backbone interact. energy: -0.607
local terms energy: -280.714880
where:
bonds (distance) C4'-P energy: -53.226
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -59.385
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -74.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -843.789638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.789638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.789638 (E_RNA)
where:
Base-Base interactions energy: -580.430
where: short stacking energy: -250.429
Base-Backbone interact. energy: -0.199
local terms energy: -263.160749
where:
bonds (distance) C4'-P energy: -54.007
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -74.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -806.119670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.119670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.119670 (E_RNA)
where:
Base-Base interactions energy: -556.599
where: short stacking energy: -238.932
Base-Backbone interact. energy: -1.908
local terms energy: -247.612255
where:
bonds (distance) C4'-P energy: -45.161
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -74.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -763.163082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.163082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.163082 (E_RNA)
where:
Base-Base interactions energy: -538.335
where: short stacking energy: -224.503
Base-Backbone interact. energy: 0.332
local terms energy: -225.160838
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -62.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -688.852002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.852002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.852002 (E_RNA)
where:
Base-Base interactions energy: -481.946
where: short stacking energy: -195.520
Base-Backbone interact. energy: 0.098
local terms energy: -207.003328
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -44.615
flat angles C4'-P-C4' energy: -46.414
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -55.734
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -968.674584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.674584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.674584 (E_RNA)
where:
Base-Base interactions energy: -664.708
where: short stacking energy: -292.519
Base-Backbone interact. energy: -1.185
local terms energy: -302.781490
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -55.221
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -92.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -959.043620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.043620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.043620 (E_RNA)
where:
Base-Base interactions energy: -675.527
where: short stacking energy: -295.687
Base-Backbone interact. energy: -0.911
local terms energy: -282.605191
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -61.371
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -81.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -928.450382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.450382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.450382 (E_RNA)
where:
Base-Base interactions energy: -637.777
where: short stacking energy: -273.217
Base-Backbone interact. energy: -0.763
local terms energy: -289.909626
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -43.164
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -926.527689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.527689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.527689 (E_RNA)
where:
Base-Base interactions energy: -650.481
where: short stacking energy: -278.526
Base-Backbone interact. energy: -1.283
local terms energy: -274.763562
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -56.358
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -88.077
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: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -914.112801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.112801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.112801 (E_RNA)
where:
Base-Base interactions energy: -637.986
where: short stacking energy: -265.358
Base-Backbone interact. energy: -1.179
local terms energy: -274.948326
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -49.637
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -83.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -822.160421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.160421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.160421 (E_RNA)
where:
Base-Base interactions energy: -574.489
where: short stacking energy: -233.807
Base-Backbone interact. energy: -0.776
local terms energy: -246.895910
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -44.925
flat angles C4'-P-C4' energy: -53.912
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -64.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -818.394787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.394787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.394787 (E_RNA)
where:
Base-Base interactions energy: -571.630
where: short stacking energy: -247.023
Base-Backbone interact. energy: 2.013
local terms energy: -248.777936
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -48.252
flat angles P-C4'-P energy: -41.836
tors. eta vs tors. theta energy: -74.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -782.678462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.678462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.678462 (E_RNA)
where:
Base-Base interactions energy: -555.369
where: short stacking energy: -217.018
Base-Backbone interact. energy: 3.185
local terms energy: -230.493901
where:
bonds (distance) C4'-P energy: -36.925
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -53.205
flat angles P-C4'-P energy: -29.209
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: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -742.350448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.350448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.350448 (E_RNA)
where:
Base-Base interactions energy: -506.594
where: short stacking energy: -218.733
Base-Backbone interact. energy: 2.743
local terms energy: -238.499227
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -62.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -630.010937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.010937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.010937 (E_RNA)
where:
Base-Base interactions energy: -416.648
where: short stacking energy: -180.522
Base-Backbone interact. energy: -0.665
local terms energy: -212.697658
where:
bonds (distance) C4'-P energy: -46.775
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -957.227325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.227325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.227325 (E_RNA)
where:
Base-Base interactions energy: -668.795
where: short stacking energy: -300.021
Base-Backbone interact. energy: -2.455
local terms energy: -285.977965
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -47.095
flat angles C4'-P-C4' energy: -62.539
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -89.902
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: 5
Temperature: 0.950000
Total energy: -961.075881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.075881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.075881 (E_RNA)
where:
Base-Base interactions energy: -670.681
where: short stacking energy: -294.697
Base-Backbone interact. energy: -1.788
local terms energy: -288.607217
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -47.933
flat angles C4'-P-C4' energy: -64.856
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -93.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -958.114396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.114396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.114396 (E_RNA)
where:
Base-Base interactions energy: -663.432
where: short stacking energy: -289.741
Base-Backbone interact. energy: -0.921
local terms energy: -293.760915
where:
bonds (distance) C4'-P energy: -53.491
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -91.317
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: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -940.703624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.703624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.703624 (E_RNA)
where:
Base-Base interactions energy: -646.126
where: short stacking energy: -276.263
Base-Backbone interact. energy: -0.597
local terms energy: -293.980387
where:
bonds (distance) C4'-P energy: -46.281
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -85.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -888.184265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.184265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.184265 (E_RNA)
where:
Base-Base interactions energy: -614.937
where: short stacking energy: -255.932
Base-Backbone interact. energy: -0.958
local terms energy: -272.288994
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -44.430
flat angles C4'-P-C4' energy: -58.587
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -76.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -829.100988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.100988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.100988 (E_RNA)
where:
Base-Base interactions energy: -573.531
where: short stacking energy: -245.201
Base-Backbone interact. energy: -0.282
local terms energy: -255.287781
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -55.342
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: -73.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -820.075059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.075059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.075059 (E_RNA)
where:
Base-Base interactions energy: -572.822
where: short stacking energy: -261.119
Base-Backbone interact. energy: 0.091
local terms energy: -247.344490
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -34.985
flat angles C4'-P-C4' energy: -52.325
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -72.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -786.467692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.467692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.467692 (E_RNA)
where:
Base-Base interactions energy: -556.746
where: short stacking energy: -236.294
Base-Backbone interact. energy: 0.708
local terms energy: -230.429846
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -51.674
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -67.704
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: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -686.853801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.853801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.853801 (E_RNA)
where:
Base-Base interactions energy: -467.706
where: short stacking energy: -191.687
Base-Backbone interact. energy: -1.063
local terms energy: -218.085356
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -42.476
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -34.098
tors. eta vs tors. theta energy: -54.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -562.691792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.691792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.691792 (E_RNA)
where:
Base-Base interactions energy: -381.246
where: short stacking energy: -162.040
Base-Backbone interact. energy: 1.895
local terms energy: -183.340204
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -50.008
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -29.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -983.330017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.330017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.330017 (E_RNA)
where:
Base-Base interactions energy: -683.386
where: short stacking energy: -302.926
Base-Backbone interact. energy: -0.347
local terms energy: -299.597119
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -58.527
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -91.030
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -949.898555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.898555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.898555 (E_RNA)
where:
Base-Base interactions energy: -658.810
where: short stacking energy: -289.245
Base-Backbone interact. energy: -1.434
local terms energy: -289.654365
where:
bonds (distance) C4'-P energy: -52.419
bonds (distance) P-C4' energy: -51.292
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -90.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -956.240582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.240582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.240582 (E_RNA)
where:
Base-Base interactions energy: -653.547
where: short stacking energy: -288.038
Base-Backbone interact. energy: -1.085
local terms energy: -301.608206
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -87.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -923.496424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.496424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.496424 (E_RNA)
where:
Base-Base interactions energy: -633.695
where: short stacking energy: -279.131
Base-Backbone interact. energy: -1.781
local terms energy: -288.020986
where:
bonds (distance) C4'-P energy: -55.073
bonds (distance) P-C4' energy: -51.192
flat angles C4'-P-C4' energy: -56.329
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -86.092
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: 6
Temperature: 1.100000
Total energy: -904.901581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.901581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.901581 (E_RNA)
where:
Base-Base interactions energy: -628.059
where: short stacking energy: -264.921
Base-Backbone interact. energy: -0.720
local terms energy: -276.122291
where:
bonds (distance) C4'-P energy: -52.639
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -54.839
flat angles P-C4'-P energy: -41.641
tors. eta vs tors. theta energy: -79.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -871.737395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.737395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.737395 (E_RNA)
where:
Base-Base interactions energy: -607.648
where: short stacking energy: -264.599
Base-Backbone interact. energy: -0.336
local terms energy: -263.753544
where:
bonds (distance) C4'-P energy: -46.137
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -74.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -803.304741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.304741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.304741 (E_RNA)
where:
Base-Base interactions energy: -568.555
where: short stacking energy: -247.145
Base-Backbone interact. energy: 0.271
local terms energy: -235.020413
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -51.720
flat angles P-C4'-P energy: -39.245
tors. eta vs tors. theta energy: -63.400
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: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -777.752860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.752860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.752860 (E_RNA)
where:
Base-Base interactions energy: -533.767
where: short stacking energy: -227.172
Base-Backbone interact. energy: 0.664
local terms energy: -244.649680
where:
bonds (distance) C4'-P energy: -44.078
bonds (distance) P-C4' energy: -44.143
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: -62.800
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: 6
Temperature: 1.300000
Total energy: -689.073786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.073786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.073786 (E_RNA)
where:
Base-Base interactions energy: -450.447
where: short stacking energy: -197.805
Base-Backbone interact. energy: 0.415
local terms energy: -239.042170
where:
bonds (distance) C4'-P energy: -47.238
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -48.960
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -58.948
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -544.794424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.794424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.794424 (E_RNA)
where:
Base-Base interactions energy: -341.946
where: short stacking energy: -145.779
Base-Backbone interact. energy: -2.030
local terms energy: -200.818987
where:
bonds (distance) C4'-P energy: -50.423
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -43.247
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: -34.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -965.036051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.036051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.036051 (E_RNA)
where:
Base-Base interactions energy: -658.388
where: short stacking energy: -286.430
Base-Backbone interact. energy: -1.542
local terms energy: -305.106477
where:
bonds (distance) C4'-P energy: -57.149
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -64.581
flat angles P-C4'-P energy: -38.014
tors. eta vs tors. theta energy: -90.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -953.288024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.288024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.288024 (E_RNA)
where:
Base-Base interactions energy: -672.066
where: short stacking energy: -285.451
Base-Backbone interact. energy: -0.881
local terms energy: -280.341074
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -47.976
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -78.055
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -925.835017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.835017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.835017 (E_RNA)
where:
Base-Base interactions energy: -647.117
where: short stacking energy: -282.736
Base-Backbone interact. energy: 1.919
local terms energy: -280.636382
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -61.008
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -89.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -913.280956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.280956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.280956 (E_RNA)
where:
Base-Base interactions energy: -644.017
where: short stacking energy: -269.457
Base-Backbone interact. energy: -1.114
local terms energy: -268.149256
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -47.328
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -82.057
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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -883.917288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.917288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.917288 (E_RNA)
where:
Base-Base interactions energy: -613.893
where: short stacking energy: -258.655
Base-Backbone interact. energy: -0.668
local terms energy: -269.355929
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -55.297
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -76.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -837.824350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.824350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.824350 (E_RNA)
where:
Base-Base interactions energy: -575.821
where: short stacking energy: -241.758
Base-Backbone interact. energy: -1.419
local terms energy: -260.583479
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -60.014
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -68.180
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: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -787.709021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.709021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.709021 (E_RNA)
where:
Base-Base interactions energy: -540.243
where: short stacking energy: -241.656
Base-Backbone interact. energy: 0.943
local terms energy: -248.409872
where:
bonds (distance) C4'-P energy: -39.648
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -54.406
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -64.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -780.285533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.285533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.285533 (E_RNA)
where:
Base-Base interactions energy: -559.136
where: short stacking energy: -234.358
Base-Backbone interact. energy: 1.286
local terms energy: -222.434912
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -70.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -565.051536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.051536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.051536 (E_RNA)
where:
Base-Base interactions energy: -367.651
where: short stacking energy: -156.058
Base-Backbone interact. energy: 0.458
local terms energy: -197.858659
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -44.283
flat angles C4'-P-C4' energy: -44.767
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -39.808
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: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -542.614644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.614644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.614644 (E_RNA)
where:
Base-Base interactions energy: -356.306
where: short stacking energy: -160.429
Base-Backbone interact. energy: -0.572
local terms energy: -185.736446
where:
bonds (distance) C4'-P energy: -39.116
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -35.807
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: 8
Temperature: 0.900000
Total energy: -973.010087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.010087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.010087 (E_RNA)
where:
Base-Base interactions energy: -661.560
where: short stacking energy: -296.908
Base-Backbone interact. energy: -0.888
local terms energy: -310.562189
where:
bonds (distance) C4'-P energy: -53.328
bonds (distance) P-C4' energy: -56.360
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -93.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -942.716226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.716226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.716226 (E_RNA)
where:
Base-Base interactions energy: -667.521
where: short stacking energy: -287.679
Base-Backbone interact. energy: 1.084
local terms energy: -276.279309
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -52.995
flat angles C4'-P-C4' energy: -59.286
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: -76.989
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: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -928.317006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.317006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.317006 (E_RNA)
where:
Base-Base interactions energy: -641.219
where: short stacking energy: -277.927
Base-Backbone interact. energy: 0.278
local terms energy: -287.376009
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -84.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -895.060165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.060165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.060165 (E_RNA)
where:
Base-Base interactions energy: -627.768
where: short stacking energy: -273.406
Base-Backbone interact. energy: -2.278
local terms energy: -265.014271
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: -82.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -912.946500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.946500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.946500 (E_RNA)
where:
Base-Base interactions energy: -630.841
where: short stacking energy: -278.006
Base-Backbone interact. energy: -1.404
local terms energy: -280.701793
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -55.013
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -87.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -827.374098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.374098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.374098 (E_RNA)
where:
Base-Base interactions energy: -578.471
where: short stacking energy: -243.701
Base-Backbone interact. energy: -0.714
local terms energy: -248.189640
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -45.503
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -75.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -781.380954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.380954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.380954 (E_RNA)
where:
Base-Base interactions energy: -545.718
where: short stacking energy: -220.929
Base-Backbone interact. energy: -0.252
local terms energy: -235.411401
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -64.501
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -760.213663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.213663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.213663 (E_RNA)
where:
Base-Base interactions energy: -519.701
where: short stacking energy: -216.008
Base-Backbone interact. energy: -0.683
local terms energy: -239.830133
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -50.328
flat angles C4'-P-C4' energy: -48.374
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -68.916
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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -564.432033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.432033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.432033 (E_RNA)
where:
Base-Base interactions energy: -372.715
where: short stacking energy: -166.329
Base-Backbone interact. energy: -2.503
local terms energy: -189.213853
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -41.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -479.297974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.297974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.297974 (E_RNA)
where:
Base-Base interactions energy: -308.727
where: short stacking energy: -137.662
Base-Backbone interact. energy: -1.305
local terms energy: -169.266105
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -41.029
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -958.508902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.508902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.508902 (E_RNA)
where:
Base-Base interactions energy: -677.026
where: short stacking energy: -294.216
Base-Backbone interact. energy: -0.377
local terms energy: -281.106044
where:
bonds (distance) C4'-P energy: -55.496
bonds (distance) P-C4' energy: -43.112
flat angles C4'-P-C4' energy: -61.838
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -81.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -950.386446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.386446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.386446 (E_RNA)
where:
Base-Base interactions energy: -654.865
where: short stacking energy: -281.492
Base-Backbone interact. energy: -0.584
local terms energy: -294.937488
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -87.500
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: 9
Temperature: 1.000000
Total energy: -940.495120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.495120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.495120 (E_RNA)
where:
Base-Base interactions energy: -649.563
where: short stacking energy: -292.400
Base-Backbone interact. energy: -0.974
local terms energy: -289.958643
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -85.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -924.411801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.411801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.411801 (E_RNA)
where:
Base-Base interactions energy: -645.378
where: short stacking energy: -277.882
Base-Backbone interact. energy: 0.269
local terms energy: -279.302158
where:
bonds (distance) C4'-P energy: -52.816
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -40.247
tors. eta vs tors. theta energy: -85.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -855.558463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.558463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.558463 (E_RNA)
where:
Base-Base interactions energy: -592.322
where: short stacking energy: -252.359
Base-Backbone interact. energy: 1.229
local terms energy: -264.465378
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -60.679
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -75.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -818.519006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.519006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.519006 (E_RNA)
where:
Base-Base interactions energy: -568.547
where: short stacking energy: -257.675
Base-Backbone interact. energy: -0.286
local terms energy: -249.685112
where:
bonds (distance) C4'-P energy: -48.860
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -53.799
flat angles P-C4'-P energy: -30.490
tors. eta vs tors. theta energy: -79.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -788.205206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.205206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.205206 (E_RNA)
where:
Base-Base interactions energy: -544.444
where: short stacking energy: -234.226
Base-Backbone interact. energy: -0.198
local terms energy: -243.563564
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -34.139
tors. eta vs tors. theta energy: -67.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -749.616628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.616628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.616628 (E_RNA)
where:
Base-Base interactions energy: -517.530
where: short stacking energy: -203.305
Base-Backbone interact. energy: 2.004
local terms energy: -234.091104
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -48.505
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -52.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -570.179221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.179221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.179221 (E_RNA)
where:
Base-Base interactions energy: -364.383
where: short stacking energy: -163.403
Base-Backbone interact. energy: 1.477
local terms energy: -207.273033
where:
bonds (distance) C4'-P energy: -43.627
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -416.429014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.429014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.429014 (E_RNA)
where:
Base-Base interactions energy: -247.737
where: short stacking energy: -107.884
Base-Backbone interact. energy: 6.305
local terms energy: -174.997379
where:
bonds (distance) C4'-P energy: -49.276
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -43.010
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -976.319715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.319715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.319715 (E_RNA)
where:
Base-Base interactions energy: -676.223
where: short stacking energy: -291.962
Base-Backbone interact. energy: 0.433
local terms energy: -300.529812
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -59.037
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -84.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -942.811787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.811787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.811787 (E_RNA)
where:
Base-Base interactions energy: -647.231
where: short stacking energy: -285.537
Base-Backbone interact. energy: 1.513
local terms energy: -297.094300
where:
bonds (distance) C4'-P energy: -56.482
bonds (distance) P-C4' energy: -51.636
flat angles C4'-P-C4' energy: -52.340
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: -90.333
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -934.573521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.573521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.573521 (E_RNA)
where:
Base-Base interactions energy: -658.065
where: short stacking energy: -289.522
Base-Backbone interact. energy: -0.842
local terms energy: -275.666378
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -62.489
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -85.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -911.398435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.398435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.398435 (E_RNA)
where:
Base-Base interactions energy: -639.658
where: short stacking energy: -277.801
Base-Backbone interact. energy: -0.997
local terms energy: -270.743912
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -55.022
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -34.569
tors. eta vs tors. theta energy: -81.992
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: 10
Temperature: 1.100000
Total energy: -816.796617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.796617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.796617 (E_RNA)
where:
Base-Base interactions energy: -564.814
where: short stacking energy: -261.501
Base-Backbone interact. energy: -0.869
local terms energy: -251.113227
where:
bonds (distance) C4'-P energy: -50.070
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -65.734
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: 10
Temperature: 1.150000
Total energy: -835.788295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.788295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.788295 (E_RNA)
where:
Base-Base interactions energy: -585.603
where: short stacking energy: -241.894
Base-Backbone interact. energy: 0.638
local terms energy: -250.823124
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -71.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -784.862497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.862497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.862497 (E_RNA)
where:
Base-Base interactions energy: -539.256
where: short stacking energy: -226.989
Base-Backbone interact. energy: -0.718
local terms energy: -244.889239
where:
bonds (distance) C4'-P energy: -48.231
bonds (distance) P-C4' energy: -48.082
flat angles C4'-P-C4' energy: -49.039
flat angles P-C4'-P energy: -30.810
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -766.623019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.623019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.623019 (E_RNA)
where:
Base-Base interactions energy: -512.788
where: short stacking energy: -228.636
Base-Backbone interact. energy: -0.042
local terms energy: -253.792761
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -71.806
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -564.392487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.392487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.392487 (E_RNA)
where:
Base-Base interactions energy: -359.589
where: short stacking energy: -158.357
Base-Backbone interact. energy: 0.270
local terms energy: -205.073653
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -43.020
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -412.225828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.225828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.225828 (E_RNA)
where:
Base-Base interactions energy: -231.707
where: short stacking energy: -110.273
Base-Backbone interact. energy: 3.615
local terms energy: -184.133302
where:
bonds (distance) C4'-P energy: -46.526
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -971.986925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.986925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.986925 (E_RNA)
where:
Base-Base interactions energy: -687.603
where: short stacking energy: -291.981
Base-Backbone interact. energy: -1.239
local terms energy: -283.145474
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -46.413
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -44.711
tors. eta vs tors. theta energy: -82.178
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -938.875633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.875633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.875633 (E_RNA)
where:
Base-Base interactions energy: -640.365
where: short stacking energy: -273.372
Base-Backbone interact. energy: -1.381
local terms energy: -297.130213
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -61.668
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -78.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -918.213628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.213628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.213628 (E_RNA)
where:
Base-Base interactions energy: -645.139
where: short stacking energy: -270.949
Base-Backbone interact. energy: -1.045
local terms energy: -272.029675
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -82.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -918.040776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.040776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.040776 (E_RNA)
where:
Base-Base interactions energy: -641.457
where: short stacking energy: -286.358
Base-Backbone interact. energy: 0.898
local terms energy: -277.482516
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -54.831
flat angles C4'-P-C4' energy: -58.623
flat angles P-C4'-P energy: -36.087
tors. eta vs tors. theta energy: -82.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -833.068325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.068325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.068325 (E_RNA)
where:
Base-Base interactions energy: -568.760
where: short stacking energy: -248.515
Base-Backbone interact. energy: -0.523
local terms energy: -263.785400
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -35.204
tors. eta vs tors. theta energy: -74.628
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: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -822.311708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.311708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.311708 (E_RNA)
where:
Base-Base interactions energy: -570.945
where: short stacking energy: -233.906
Base-Backbone interact. energy: -0.988
local terms energy: -250.378633
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -52.657
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -35.414
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -811.725861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.725861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.725861 (E_RNA)
where:
Base-Base interactions energy: -567.309
where: short stacking energy: -235.103
Base-Backbone interact. energy: 0.989
local terms energy: -245.406140
where:
bonds (distance) C4'-P energy: -44.033
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -66.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -742.419540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.419540 (E_RNA)
where:
Base-Base interactions energy: -510.039
where: short stacking energy: -226.193
Base-Backbone interact. energy: -1.179
local terms energy: -231.201785
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -45.004
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -71.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -539.355525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.355525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.355525 (E_RNA)
where:
Base-Base interactions energy: -346.842
where: short stacking energy: -143.570
Base-Backbone interact. energy: -0.042
local terms energy: -192.471690
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -41.697
flat angles C4'-P-C4' energy: -42.523
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -34.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -426.251550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.251550 (E_RNA)
where:
Base-Base interactions energy: -259.392
where: short stacking energy: -110.589
Base-Backbone interact. energy: -1.190
local terms energy: -165.669503
where:
bonds (distance) C4'-P energy: -40.197
bonds (distance) P-C4' energy: -51.337
flat angles C4'-P-C4' energy: -42.914
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -3.682
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -976.181827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.181827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.181827 (E_RNA)
where:
Base-Base interactions energy: -665.839
where: short stacking energy: -292.194
Base-Backbone interact. energy: -1.188
local terms energy: -309.154889
where:
bonds (distance) C4'-P energy: -58.453
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -46.965
tors. eta vs tors. theta energy: -90.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -939.293697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.293697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.293697 (E_RNA)
where:
Base-Base interactions energy: -649.454
where: short stacking energy: -276.312
Base-Backbone interact. energy: -1.004
local terms energy: -288.836495
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: -83.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -928.479602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.479602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.479602 (E_RNA)
where:
Base-Base interactions energy: -643.700
where: short stacking energy: -267.163
Base-Backbone interact. energy: 0.472
local terms energy: -285.251985
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -56.483
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -42.433
tors. eta vs tors. theta energy: -78.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -889.423669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.423669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.423669 (E_RNA)
where:
Base-Base interactions energy: -615.988
where: short stacking energy: -273.222
Base-Backbone interact. energy: -1.161
local terms energy: -272.275227
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -79.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -833.175912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.175912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.175912 (E_RNA)
where:
Base-Base interactions energy: -572.141
where: short stacking energy: -252.948
Base-Backbone interact. energy: 0.737
local terms energy: -261.771489
where:
bonds (distance) C4'-P energy: -42.065
bonds (distance) P-C4' energy: -52.764
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -71.969
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: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -835.279722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.279722 (E_RNA)
where:
Base-Base interactions energy: -594.263
where: short stacking energy: -235.767
Base-Backbone interact. energy: -0.848
local terms energy: -240.168748
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -63.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -818.166354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.166354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.166354 (E_RNA)
where:
Base-Base interactions energy: -562.344
where: short stacking energy: -249.804
Base-Backbone interact. energy: -0.783
local terms energy: -255.038638
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -68.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -716.624141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.624141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.624141 (E_RNA)
where:
Base-Base interactions energy: -494.353
where: short stacking energy: -208.938
Base-Backbone interact. energy: -0.416
local terms energy: -221.854634
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -53.195
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: -52.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -546.166572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.166572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.166572 (E_RNA)
where:
Base-Base interactions energy: -348.972
where: short stacking energy: -137.120
Base-Backbone interact. energy: 6.720
local terms energy: -203.914874
where:
bonds (distance) C4'-P energy: -56.257
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -36.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -420.558236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.558236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.558236 (E_RNA)
where:
Base-Base interactions energy: -260.091
where: short stacking energy: -124.128
Base-Backbone interact. energy: -1.787
local terms energy: -158.679949
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -50.538
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -13.391
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: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -979.518727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.518727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.518727 (E_RNA)
where:
Base-Base interactions energy: -668.032
where: short stacking energy: -293.325
Base-Backbone interact. energy: -1.316
local terms energy: -310.170760
where:
bonds (distance) C4'-P energy: -55.252
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -45.342
tors. eta vs tors. theta energy: -86.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -936.984829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.984829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.984829 (E_RNA)
where:
Base-Base interactions energy: -644.729
where: short stacking energy: -285.898
Base-Backbone interact. energy: -2.001
local terms energy: -290.255348
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -49.753
tors. eta vs tors. theta energy: -80.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -916.318627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.318627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.318627 (E_RNA)
where:
Base-Base interactions energy: -641.739
where: short stacking energy: -290.779
Base-Backbone interact. energy: -0.517
local terms energy: -274.061796
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -38.447
tors. eta vs tors. theta energy: -86.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -892.983637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.983637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.983637 (E_RNA)
where:
Base-Base interactions energy: -620.359
where: short stacking energy: -271.650
Base-Backbone interact. energy: -1.655
local terms energy: -270.969026
where:
bonds (distance) C4'-P energy: -41.526
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -41.707
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: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -831.783941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.783941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.783941 (E_RNA)
where:
Base-Base interactions energy: -579.252
where: short stacking energy: -241.707
Base-Backbone interact. energy: -1.129
local terms energy: -251.403146
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -56.203
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -73.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -803.947012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.947012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.947012 (E_RNA)
where:
Base-Base interactions energy: -557.597
where: short stacking energy: -226.549
Base-Backbone interact. energy: 0.339
local terms energy: -246.689092
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -46.879
tors. eta vs tors. theta energy: -60.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -788.374621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.374621 (E_RNA)
where:
Base-Base interactions energy: -557.495
where: short stacking energy: -236.724
Base-Backbone interact. energy: -0.432
local terms energy: -230.447394
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -54.469
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -30.241
tors. eta vs tors. theta energy: -55.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -754.227094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.227094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.227094 (E_RNA)
where:
Base-Base interactions energy: -521.826
where: short stacking energy: -216.686
Base-Backbone interact. energy: -0.631
local terms energy: -231.770120
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -33.506
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -558.022864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.022864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.022864 (E_RNA)
where:
Base-Base interactions energy: -363.191
where: short stacking energy: -149.362
Base-Backbone interact. energy: 0.684
local terms energy: -195.515960
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -54.890
flat angles C4'-P-C4' energy: -44.954
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -24.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -492.821049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.821049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.821049 (E_RNA)
where:
Base-Base interactions energy: -310.239
where: short stacking energy: -131.595
Base-Backbone interact. energy: 1.643
local terms energy: -184.225682
where:
bonds (distance) C4'-P energy: -42.570
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -47.175
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -14.226
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -974.231358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.231358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.231358 (E_RNA)
where:
Base-Base interactions energy: -667.543
where: short stacking energy: -290.886
Base-Backbone interact. energy: -0.990
local terms energy: -305.698294
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -51.877
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -94.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -934.143352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.143352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.143352 (E_RNA)
where:
Base-Base interactions energy: -647.493
where: short stacking energy: -275.626
Base-Backbone interact. energy: -0.924
local terms energy: -285.726106
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -50.071
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -89.633
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -939.542074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.542074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.542074 (E_RNA)
where:
Base-Base interactions energy: -659.481
where: short stacking energy: -284.760
Base-Backbone interact. energy: -0.565
local terms energy: -279.495802
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -57.989
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -89.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -918.962851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.962851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.962851 (E_RNA)
where:
Base-Base interactions energy: -636.079
where: short stacking energy: -278.038
Base-Backbone interact. energy: -0.748
local terms energy: -282.135247
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -44.917
flat angles C4'-P-C4' energy: -61.336
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -82.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -831.387269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.387269 (E_RNA)
where:
Base-Base interactions energy: -573.296
where: short stacking energy: -261.988
Base-Backbone interact. energy: -0.284
local terms energy: -257.806682
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -55.483
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -69.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -786.828718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.828718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.828718 (E_RNA)
where:
Base-Base interactions energy: -546.331
where: short stacking energy: -229.241
Base-Backbone interact. energy: -0.940
local terms energy: -239.558156
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -47.723
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -65.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -766.122282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.122282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.122282 (E_RNA)
where:
Base-Base interactions energy: -535.525
where: short stacking energy: -231.266
Base-Backbone interact. energy: -2.032
local terms energy: -228.565598
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -48.849
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -58.876
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: 14
Temperature: 1.250000
Total energy: -744.511197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.511197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.511197 (E_RNA)
where:
Base-Base interactions energy: -527.058
where: short stacking energy: -229.102
Base-Backbone interact. energy: 1.487
local terms energy: -218.940523
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -39.704
flat angles C4'-P-C4' energy: -41.713
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -63.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -550.695801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.695801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.695801 (E_RNA)
where:
Base-Base interactions energy: -374.792
where: short stacking energy: -145.613
Base-Backbone interact. energy: 0.463
local terms energy: -176.366060
where:
bonds (distance) C4'-P energy: -45.411
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -28.736
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: 14
Temperature: 1.350000
Total energy: -495.780657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.780657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.780657 (E_RNA)
where:
Base-Base interactions energy: -327.247
where: short stacking energy: -142.567
Base-Backbone interact. energy: -0.544
local terms energy: -167.989781
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -968.600695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.600695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.600695 (E_RNA)
where:
Base-Base interactions energy: -666.157
where: short stacking energy: -293.183
Base-Backbone interact. energy: -0.281
local terms energy: -302.162847
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -65.276
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -88.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -955.518291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.518291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.518291 (E_RNA)
where:
Base-Base interactions energy: -659.844
where: short stacking energy: -299.913
Base-Backbone interact. energy: -0.163
local terms energy: -295.511288
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -52.213
flat angles C4'-P-C4' energy: -62.955
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -92.805
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -953.551655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.551655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.551655 (E_RNA)
where:
Base-Base interactions energy: -646.709
where: short stacking energy: -274.286
Base-Backbone interact. energy: -1.901
local terms energy: -304.941664
where:
bonds (distance) C4'-P energy: -54.880
bonds (distance) P-C4' energy: -54.203
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: -85.631
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: 15
Temperature: 1.050000
Total energy: -919.661368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.661368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.661368 (E_RNA)
where:
Base-Base interactions energy: -639.586
where: short stacking energy: -269.707
Base-Backbone interact. energy: -1.076
local terms energy: -278.999336
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -36.195
tors. eta vs tors. theta energy: -85.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -831.893512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.893512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.893512 (E_RNA)
where:
Base-Base interactions energy: -571.015
where: short stacking energy: -229.894
Base-Backbone interact. energy: 0.410
local terms energy: -261.288490
where:
bonds (distance) C4'-P energy: -46.602
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -65.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -809.594132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.594132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.594132 (E_RNA)
where:
Base-Base interactions energy: -559.440
where: short stacking energy: -247.237
Base-Backbone interact. energy: -0.190
local terms energy: -249.964146
where:
bonds (distance) C4'-P energy: -47.411
bonds (distance) P-C4' energy: -48.641
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -66.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -794.887621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.887621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.887621 (E_RNA)
where:
Base-Base interactions energy: -550.409
where: short stacking energy: -230.564
Base-Backbone interact. energy: -0.968
local terms energy: -243.510921
where:
bonds (distance) C4'-P energy: -47.508
bonds (distance) P-C4' energy: -48.914
flat angles C4'-P-C4' energy: -56.307
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -64.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -732.510297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.510297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.510297 (E_RNA)
where:
Base-Base interactions energy: -509.845
where: short stacking energy: -211.151
Base-Backbone interact. energy: -1.065
local terms energy: -221.600660
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -42.200
flat angles C4'-P-C4' energy: -49.437
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -63.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -590.929647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.929647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.929647 (E_RNA)
where:
Base-Base interactions energy: -396.361
where: short stacking energy: -157.606
Base-Backbone interact. energy: -1.821
local terms energy: -192.747749
where:
bonds (distance) C4'-P energy: -39.789
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -46.719
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -37.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -525.017617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.017617 (E_RNA)
where:
Base-Base interactions energy: -361.337
where: short stacking energy: -131.194
Base-Backbone interact. energy: -1.136
local terms energy: -162.544801
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -20.299
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: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -969.960612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.960612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.960612 (E_RNA)
where:
Base-Base interactions energy: -676.711
where: short stacking energy: -302.738
Base-Backbone interact. energy: -1.106
local terms energy: -292.143239
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -90.144
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: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -931.043512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.043512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.043512 (E_RNA)
where:
Base-Base interactions energy: -629.269
where: short stacking energy: -262.781
Base-Backbone interact. energy: -1.288
local terms energy: -300.485530
where:
bonds (distance) C4'-P energy: -52.343
bonds (distance) P-C4' energy: -53.464
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -50.083
tors. eta vs tors. theta energy: -86.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -933.972340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.972340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.972340 (E_RNA)
where:
Base-Base interactions energy: -648.859
where: short stacking energy: -288.971
Base-Backbone interact. energy: -1.928
local terms energy: -283.185754
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -88.712
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -894.390565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.390565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.390565 (E_RNA)
where:
Base-Base interactions energy: -635.184
where: short stacking energy: -267.704
Base-Backbone interact. energy: 0.362
local terms energy: -259.568062
where:
bonds (distance) C4'-P energy: -43.130
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -78.268
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: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -817.980763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.980763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.980763 (E_RNA)
where:
Base-Base interactions energy: -567.660
where: short stacking energy: -240.729
Base-Backbone interact. energy: -0.807
local terms energy: -249.514361
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -35.680
tors. eta vs tors. theta energy: -65.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -788.630316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.630316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.630316 (E_RNA)
where:
Base-Base interactions energy: -545.517
where: short stacking energy: -241.536
Base-Backbone interact. energy: 0.081
local terms energy: -243.194484
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -52.993
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -62.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -803.893262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.893262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.893262 (E_RNA)
where:
Base-Base interactions energy: -555.853
where: short stacking energy: -236.259
Base-Backbone interact. energy: -0.568
local terms energy: -247.472105
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -57.735
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: 16
Temperature: 1.250000
Total energy: -717.401843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.401843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.401843 (E_RNA)
where:
Base-Base interactions energy: -495.996
where: short stacking energy: -208.015
Base-Backbone interact. energy: -2.363
local terms energy: -219.042846
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -55.861
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -53.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -608.165376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.165376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.165376 (E_RNA)
where:
Base-Base interactions energy: -402.391
where: short stacking energy: -169.325
Base-Backbone interact. energy: 1.457
local terms energy: -207.231954
where:
bonds (distance) C4'-P energy: -40.627
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -49.569
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -37.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -490.513574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.513574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.513574 (E_RNA)
where:
Base-Base interactions energy: -309.713
where: short stacking energy: -139.119
Base-Backbone interact. energy: 0.435
local terms energy: -181.235776
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -949.062471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.062471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.062471 (E_RNA)
where:
Base-Base interactions energy: -661.691
where: short stacking energy: -275.660
Base-Backbone interact. energy: -0.972
local terms energy: -286.399877
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -84.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -944.508201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.508201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.508201 (E_RNA)
where:
Base-Base interactions energy: -663.560
where: short stacking energy: -278.965
Base-Backbone interact. energy: -0.794
local terms energy: -280.154263
where:
bonds (distance) C4'-P energy: -54.978
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -83.475
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -926.765298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.765298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.765298 (E_RNA)
where:
Base-Base interactions energy: -647.599
where: short stacking energy: -277.760
Base-Backbone interact. energy: -1.160
local terms energy: -278.006280
where:
bonds (distance) C4'-P energy: -53.245
bonds (distance) P-C4' energy: -44.266
flat angles C4'-P-C4' energy: -61.651
flat angles P-C4'-P energy: -37.020
tors. eta vs tors. theta energy: -81.824
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -913.712240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.712240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.712240 (E_RNA)
where:
Base-Base interactions energy: -630.200
where: short stacking energy: -290.117
Base-Backbone interact. energy: -1.277
local terms energy: -282.235520
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -56.951
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -88.908
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: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -824.031389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.031389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.031389 (E_RNA)
where:
Base-Base interactions energy: -568.091
where: short stacking energy: -248.540
Base-Backbone interact. energy: -0.526
local terms energy: -255.413954
where:
bonds (distance) C4'-P energy: -44.041
bonds (distance) P-C4' energy: -45.770
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -71.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -779.915136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.915136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.915136 (E_RNA)
where:
Base-Base interactions energy: -547.352
where: short stacking energy: -234.405
Base-Backbone interact. energy: -1.700
local terms energy: -230.863404
where:
bonds (distance) C4'-P energy: -42.632
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -69.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -786.178135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.178135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.178135 (E_RNA)
where:
Base-Base interactions energy: -554.685
where: short stacking energy: -223.246
Base-Backbone interact. energy: -0.840
local terms energy: -230.652988
where:
bonds (distance) C4'-P energy: -42.260
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -62.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -714.496363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.496363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.496363 (E_RNA)
where:
Base-Base interactions energy: -486.604
where: short stacking energy: -189.258
Base-Backbone interact. energy: 0.253
local terms energy: -228.145432
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -40.935
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -58.214
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -627.323909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.323909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.323909 (E_RNA)
where:
Base-Base interactions energy: -419.100
where: short stacking energy: -175.687
Base-Backbone interact. energy: -0.428
local terms energy: -207.796551
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -43.061
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -498.609987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.609987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.609987 (E_RNA)
where:
Base-Base interactions energy: -318.141
where: short stacking energy: -119.796
Base-Backbone interact. energy: -0.436
local terms energy: -180.033150
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -48.974
flat angles C4'-P-C4' energy: -43.552
flat angles P-C4'-P energy: -34.249
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -959.999398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.999398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.999398 (E_RNA)
where:
Base-Base interactions energy: -671.369
where: short stacking energy: -280.061
Base-Backbone interact. energy: -0.766
local terms energy: -287.864020
where:
bonds (distance) C4'-P energy: -47.183
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -82.454
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -948.326256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.326256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.326256 (E_RNA)
where:
Base-Base interactions energy: -642.524
where: short stacking energy: -296.312
Base-Backbone interact. energy: 1.526
local terms energy: -307.328363
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -65.749
flat angles P-C4'-P energy: -45.193
tors. eta vs tors. theta energy: -92.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -924.473461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.473461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.473461 (E_RNA)
where:
Base-Base interactions energy: -637.549
where: short stacking energy: -274.559
Base-Backbone interact. energy: -0.554
local terms energy: -286.370352
where:
bonds (distance) C4'-P energy: -48.573
bonds (distance) P-C4' energy: -57.992
flat angles C4'-P-C4' energy: -60.891
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -79.741
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -915.349473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.349473 (E_RNA)
where:
Base-Base interactions energy: -641.860
where: short stacking energy: -285.432
Base-Backbone interact. energy: -0.780
local terms energy: -272.708966
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -87.068
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -815.918352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.918352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.918352 (E_RNA)
where:
Base-Base interactions energy: -560.054
where: short stacking energy: -243.813
Base-Backbone interact. energy: -0.184
local terms energy: -255.680474
where:
bonds (distance) C4'-P energy: -38.338
bonds (distance) P-C4' energy: -47.350
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -78.220
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -786.014567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.014567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.014567 (E_RNA)
where:
Base-Base interactions energy: -555.819
where: short stacking energy: -232.003
Base-Backbone interact. energy: 0.768
local terms energy: -230.963720
where:
bonds (distance) C4'-P energy: -51.158
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -44.967
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -62.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -737.001795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.001795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.001795 (E_RNA)
where:
Base-Base interactions energy: -499.165
where: short stacking energy: -196.364
Base-Backbone interact. energy: -1.029
local terms energy: -236.807743
where:
bonds (distance) C4'-P energy: -53.494
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -53.561
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -55.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -682.350665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.350665 (E_RNA)
where:
Base-Base interactions energy: -464.218
where: short stacking energy: -174.426
Base-Backbone interact. energy: -2.409
local terms energy: -215.724500
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -40.882
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -672.364004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.364004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.364004 (E_RNA)
where:
Base-Base interactions energy: -478.585
where: short stacking energy: -200.739
Base-Backbone interact. energy: 3.438
local terms energy: -197.216601
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -34.995
tors. eta vs tors. theta energy: -43.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -522.176658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.176658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.176658 (E_RNA)
where:
Base-Base interactions energy: -326.371
where: short stacking energy: -136.737
Base-Backbone interact. energy: 1.171
local terms energy: -196.977088
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -51.119
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -970.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.603672 (E_RNA)
where:
Base-Base interactions energy: -686.066
where: short stacking energy: -287.088
Base-Backbone interact. energy: -1.368
local terms energy: -283.169439
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -83.508
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -950.225515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.225515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.225515 (E_RNA)
where:
Base-Base interactions energy: -655.361
where: short stacking energy: -302.440
Base-Backbone interact. energy: -0.709
local terms energy: -294.155492
where:
bonds (distance) C4'-P energy: -51.903
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -63.635
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -90.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -925.925586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.925586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.925586 (E_RNA)
where:
Base-Base interactions energy: -650.076
where: short stacking energy: -274.986
Base-Backbone interact. energy: -1.205
local terms energy: -274.644302
where:
bonds (distance) C4'-P energy: -43.809
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -81.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -918.968259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.968259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.968259 (E_RNA)
where:
Base-Base interactions energy: -640.923
where: short stacking energy: -276.477
Base-Backbone interact. energy: -0.168
local terms energy: -277.877264
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -42.565
flat angles C4'-P-C4' energy: -60.255
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -78.227
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: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -810.433198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.433198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.433198 (E_RNA)
where:
Base-Base interactions energy: -554.590
where: short stacking energy: -242.427
Base-Backbone interact. energy: -0.606
local terms energy: -255.237343
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -74.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -765.082455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.082455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.082455 (E_RNA)
where:
Base-Base interactions energy: -516.102
where: short stacking energy: -222.824
Base-Backbone interact. energy: -0.742
local terms energy: -248.238299
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -48.910
flat angles P-C4'-P energy: -31.015
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: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -748.678033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.678033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.678033 (E_RNA)
where:
Base-Base interactions energy: -508.943
where: short stacking energy: -207.570
Base-Backbone interact. energy: -0.390
local terms energy: -239.345613
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -59.802
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -49.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -704.797509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.797509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.797509 (E_RNA)
where:
Base-Base interactions energy: -467.756
where: short stacking energy: -199.846
Base-Backbone interact. energy: -2.020
local terms energy: -235.021896
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -53.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -649.157774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.157774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.157774 (E_RNA)
where:
Base-Base interactions energy: -453.689
where: short stacking energy: -181.823
Base-Backbone interact. energy: -1.529
local terms energy: -193.940503
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -43.788
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -39.328
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: 19
Temperature: 1.350000
Total energy: -531.992537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.992537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.992537 (E_RNA)
where:
Base-Base interactions energy: -322.339
where: short stacking energy: -142.826
Base-Backbone interact. energy: -0.220
local terms energy: -209.433978
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -55.343
flat angles C4'-P-C4' energy: -50.803
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -34.138
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: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -967.864136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.864136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.864136 (E_RNA)
where:
Base-Base interactions energy: -670.890
where: short stacking energy: -294.981
Base-Backbone interact. energy: -0.509
local terms energy: -296.465435
where:
bonds (distance) C4'-P energy: -50.447
bonds (distance) P-C4' energy: -52.988
flat angles C4'-P-C4' energy: -63.850
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -86.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -943.398428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.398428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.398428 (E_RNA)
where:
Base-Base interactions energy: -668.534
where: short stacking energy: -290.941
Base-Backbone interact. energy: -0.461
local terms energy: -274.403150
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -57.161
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -85.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -927.366696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.366696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.366696 (E_RNA)
where:
Base-Base interactions energy: -643.816
where: short stacking energy: -275.075
Base-Backbone interact. energy: 1.212
local terms energy: -284.762105
where:
bonds (distance) C4'-P energy: -53.556
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -53.674
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -81.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -884.910640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.910640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.910640 (E_RNA)
where:
Base-Base interactions energy: -615.630
where: short stacking energy: -260.194
Base-Backbone interact. energy: 3.568
local terms energy: -272.848397
where:
bonds (distance) C4'-P energy: -44.426
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -76.106
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: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -823.081910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.081910 (E_RNA)
where:
Base-Base interactions energy: -553.047
where: short stacking energy: -229.890
Base-Backbone interact. energy: -1.465
local terms energy: -268.569943
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -39.066
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: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -816.629569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.629569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.629569 (E_RNA)
where:
Base-Base interactions energy: -561.418
where: short stacking energy: -228.114
Base-Backbone interact. energy: -1.063
local terms energy: -254.148510
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -61.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -772.243110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.243110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.243110 (E_RNA)
where:
Base-Base interactions energy: -529.381
where: short stacking energy: -218.013
Base-Backbone interact. energy: -0.515
local terms energy: -242.346822
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -49.823
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -66.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -690.810447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.810447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.810447 (E_RNA)
where:
Base-Base interactions energy: -466.031
where: short stacking energy: -190.937
Base-Backbone interact. energy: -0.394
local terms energy: -224.386140
where:
bonds (distance) C4'-P energy: -51.336
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -41.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -635.146332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.146332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.146332 (E_RNA)
where:
Base-Base interactions energy: -444.014
where: short stacking energy: -174.700
Base-Backbone interact. energy: -2.539
local terms energy: -188.593347
where:
bonds (distance) C4'-P energy: -42.924
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -30.597
tors. eta vs tors. theta energy: -37.598
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: 20
Temperature: 1.350000
Total energy: -543.040541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.040541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.040541 (E_RNA)
where:
Base-Base interactions energy: -343.152
where: short stacking energy: -147.096
Base-Backbone interact. energy: -0.342
local terms energy: -199.546504
where:
bonds (distance) C4'-P energy: -41.271
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -43.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -963.523596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.523596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.523596 (E_RNA)
where:
Base-Base interactions energy: -663.529
where: short stacking energy: -296.368
Base-Backbone interact. energy: -1.023
local terms energy: -298.971201
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -49.637
flat angles C4'-P-C4' energy: -61.611
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -91.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -952.800771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.800771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.800771 (E_RNA)
where:
Base-Base interactions energy: -664.069
where: short stacking energy: -294.244
Base-Backbone interact. energy: -2.749
local terms energy: -285.983293
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -84.850
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: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -924.216628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.216628 (E_RNA)
where:
Base-Base interactions energy: -647.347
where: short stacking energy: -280.023
Base-Backbone interact. energy: -0.804
local terms energy: -276.065414
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -55.646
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -82.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -900.303725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.303725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.303725 (E_RNA)
where:
Base-Base interactions energy: -626.022
where: short stacking energy: -270.431
Base-Backbone interact. energy: -0.880
local terms energy: -273.401673
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -58.814
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -81.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -820.699994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.699994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.699994 (E_RNA)
where:
Base-Base interactions energy: -558.869
where: short stacking energy: -243.212
Base-Backbone interact. energy: -0.311
local terms energy: -261.519966
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -53.695
flat angles C4'-P-C4' energy: -49.015
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -67.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -811.837519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.837519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.837519 (E_RNA)
where:
Base-Base interactions energy: -570.261
where: short stacking energy: -243.239
Base-Backbone interact. energy: -0.310
local terms energy: -241.266637
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -62.967
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -794.713154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.713154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.713154 (E_RNA)
where:
Base-Base interactions energy: -552.033
where: short stacking energy: -240.156
Base-Backbone interact. energy: -1.179
local terms energy: -241.500801
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -49.657
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -70.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -699.814132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.814132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.814132 (E_RNA)
where:
Base-Base interactions energy: -497.668
where: short stacking energy: -215.768
Base-Backbone interact. energy: -1.055
local terms energy: -201.090945
where:
bonds (distance) C4'-P energy: -36.181
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -58.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -650.051568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.051568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.051568 (E_RNA)
where:
Base-Base interactions energy: -453.806
where: short stacking energy: -181.105
Base-Backbone interact. energy: -1.076
local terms energy: -195.169127
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -37.243
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -36.300
tors. eta vs tors. theta energy: -44.357
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: 21
Temperature: 1.350000
Total energy: -527.498886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.498886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.498886 (E_RNA)
where:
Base-Base interactions energy: -356.719
where: short stacking energy: -158.178
Base-Backbone interact. energy: -0.541
local terms energy: -170.238232
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -41.065
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -31.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -955.621708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.621708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.621708 (E_RNA)
where:
Base-Base interactions energy: -668.494
where: short stacking energy: -281.052
Base-Backbone interact. energy: -0.931
local terms energy: -286.195928
where:
bonds (distance) C4'-P energy: -45.173
bonds (distance) P-C4' energy: -55.209
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -42.392
tors. eta vs tors. theta energy: -78.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -947.679592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.679592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.679592 (E_RNA)
where:
Base-Base interactions energy: -649.851
where: short stacking energy: -282.958
Base-Backbone interact. energy: -1.868
local terms energy: -295.961391
where:
bonds (distance) C4'-P energy: -49.293
bonds (distance) P-C4' energy: -56.199
flat angles C4'-P-C4' energy: -63.828
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -87.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -930.353865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.353865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.353865 (E_RNA)
where:
Base-Base interactions energy: -648.503
where: short stacking energy: -272.132
Base-Backbone interact. energy: -0.667
local terms energy: -281.184341
where:
bonds (distance) C4'-P energy: -52.461
bonds (distance) P-C4' energy: -50.236
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -35.708
tors. eta vs tors. theta energy: -82.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -880.694826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.694826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.694826 (E_RNA)
where:
Base-Base interactions energy: -602.700
where: short stacking energy: -268.580
Base-Backbone interact. energy: -0.889
local terms energy: -277.105589
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -77.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -839.772336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.772336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.772336 (E_RNA)
where:
Base-Base interactions energy: -576.023
where: short stacking energy: -257.357
Base-Backbone interact. energy: -1.092
local terms energy: -262.657741
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -51.503
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -77.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -777.957583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.957583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.957583 (E_RNA)
where:
Base-Base interactions energy: -541.911
where: short stacking energy: -248.446
Base-Backbone interact. energy: 1.566
local terms energy: -237.612899
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -65.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -789.005968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.005968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.005968 (E_RNA)
where:
Base-Base interactions energy: -552.317
where: short stacking energy: -250.934
Base-Backbone interact. energy: 0.081
local terms energy: -236.769576
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -44.533
flat angles C4'-P-C4' energy: -48.232
flat angles P-C4'-P energy: -38.338
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: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -612.350804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.350804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.350804 (E_RNA)
where:
Base-Base interactions energy: -395.513
where: short stacking energy: -173.024
Base-Backbone interact. energy: 1.694
local terms energy: -218.531307
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -45.167
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -598.731008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.731008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.731008 (E_RNA)
where:
Base-Base interactions energy: -395.127
where: short stacking energy: -165.465
Base-Backbone interact. energy: -0.995
local terms energy: -202.609657
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -34.987
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: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -524.797002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.797002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.797002 (E_RNA)
where:
Base-Base interactions energy: -330.350
where: short stacking energy: -148.018
Base-Backbone interact. energy: 1.211
local terms energy: -195.657557
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -30.030
tors. eta vs tors. theta energy: -33.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -977.358329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.358329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.358329 (E_RNA)
where:
Base-Base interactions energy: -685.125
where: short stacking energy: -290.697
Base-Backbone interact. energy: 0.675
local terms energy: -292.909172
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -59.657
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -83.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -962.554412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.554412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.554412 (E_RNA)
where:
Base-Base interactions energy: -674.344
where: short stacking energy: -292.944
Base-Backbone interact. energy: -0.628
local terms energy: -287.582423
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -62.833
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -85.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -934.766560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.766560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.766560 (E_RNA)
where:
Base-Base interactions energy: -635.656
where: short stacking energy: -278.646
Base-Backbone interact. energy: -0.694
local terms energy: -298.416381
where:
bonds (distance) C4'-P energy: -43.900
bonds (distance) P-C4' energy: -59.635
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -88.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -870.431865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.431865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.431865 (E_RNA)
where:
Base-Base interactions energy: -615.047
where: short stacking energy: -244.544
Base-Backbone interact. energy: -0.722
local terms energy: -254.662546
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -56.880
flat angles P-C4'-P energy: -38.147
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: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -801.613990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.613990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.613990 (E_RNA)
where:
Base-Base interactions energy: -569.582
where: short stacking energy: -223.486
Base-Backbone interact. energy: -1.474
local terms energy: -230.557473
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -65.131
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: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -805.493287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.493287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.493287 (E_RNA)
where:
Base-Base interactions energy: -555.628
where: short stacking energy: -237.535
Base-Backbone interact. energy: -0.412
local terms energy: -249.453196
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -53.551
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -70.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -804.469352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.469352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.469352 (E_RNA)
where:
Base-Base interactions energy: -549.202
where: short stacking energy: -227.945
Base-Backbone interact. energy: -0.362
local terms energy: -254.905720
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -69.369
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -596.324119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.324119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.324119 (E_RNA)
where:
Base-Base interactions energy: -388.589
where: short stacking energy: -164.209
Base-Backbone interact. energy: -0.291
local terms energy: -207.444456
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -50.342
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -29.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -596.021132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.021132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.021132 (E_RNA)
where:
Base-Base interactions energy: -396.097
where: short stacking energy: -159.960
Base-Backbone interact. energy: 0.217
local terms energy: -200.140864
where:
bonds (distance) C4'-P energy: -48.288
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -39.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -486.491157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.491157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.491157 (E_RNA)
where:
Base-Base interactions energy: -312.996
where: short stacking energy: -126.802
Base-Backbone interact. energy: 1.941
local terms energy: -175.436132
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -992.735608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.735608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.735608 (E_RNA)
where:
Base-Base interactions energy: -689.419
where: short stacking energy: -287.948
Base-Backbone interact. energy: -1.089
local terms energy: -302.227889
where:
bonds (distance) C4'-P energy: -46.705
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -90.398
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: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -939.914927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.914927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.914927 (E_RNA)
where:
Base-Base interactions energy: -654.180
where: short stacking energy: -268.573
Base-Backbone interact. energy: 0.276
local terms energy: -286.010718
where:
bonds (distance) C4'-P energy: -56.370
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -80.742
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: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -926.573434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.573434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.573434 (E_RNA)
where:
Base-Base interactions energy: -641.132
where: short stacking energy: -282.491
Base-Backbone interact. energy: -2.417
local terms energy: -283.024371
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -56.696
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -88.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -879.351145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.351145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.351145 (E_RNA)
where:
Base-Base interactions energy: -609.619
where: short stacking energy: -263.431
Base-Backbone interact. energy: -0.786
local terms energy: -268.946399
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -47.367
flat angles C4'-P-C4' energy: -59.409
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -82.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -805.298369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.298369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.298369 (E_RNA)
where:
Base-Base interactions energy: -551.508
where: short stacking energy: -228.489
Base-Backbone interact. energy: -0.893
local terms energy: -252.897213
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -816.250151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.250151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.250151 (E_RNA)
where:
Base-Base interactions energy: -549.564
where: short stacking energy: -240.586
Base-Backbone interact. energy: -1.364
local terms energy: -265.321963
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -75.488
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: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -810.292442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.292442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.292442 (E_RNA)
where:
Base-Base interactions energy: -545.001
where: short stacking energy: -240.520
Base-Backbone interact. energy: -1.700
local terms energy: -263.591013
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: -64.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -562.622703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.622703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.622703 (E_RNA)
where:
Base-Base interactions energy: -361.234
where: short stacking energy: -170.992
Base-Backbone interact. energy: -0.611
local terms energy: -200.778146
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -42.157
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -597.272557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.272557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.272557 (E_RNA)
where:
Base-Base interactions energy: -395.089
where: short stacking energy: -168.074
Base-Backbone interact. energy: -0.995
local terms energy: -201.188219
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -48.751
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -518.409098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.409098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.409098 (E_RNA)
where:
Base-Base interactions energy: -353.745
where: short stacking energy: -144.977
Base-Backbone interact. energy: -2.150
local terms energy: -162.513635
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -983.889971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.889971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.889971 (E_RNA)
where:
Base-Base interactions energy: -694.523
where: short stacking energy: -305.296
Base-Backbone interact. energy: 0.018
local terms energy: -289.385619
where:
bonds (distance) C4'-P energy: -57.809
bonds (distance) P-C4' energy: -47.344
flat angles C4'-P-C4' energy: -59.304
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -87.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -935.953320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.953320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.953320 (E_RNA)
where:
Base-Base interactions energy: -649.612
where: short stacking energy: -278.891
Base-Backbone interact. energy: -0.966
local terms energy: -285.375041
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -54.558
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -43.515
tors. eta vs tors. theta energy: -82.589
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -919.280839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.280839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.280839 (E_RNA)
where:
Base-Base interactions energy: -646.470
where: short stacking energy: -280.181
Base-Backbone interact. energy: -0.898
local terms energy: -271.911882
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -58.023
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -80.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -903.398802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.398802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.398802 (E_RNA)
where:
Base-Base interactions energy: -631.667
where: short stacking energy: -274.493
Base-Backbone interact. energy: -1.242
local terms energy: -270.490001
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -39.630
tors. eta vs tors. theta energy: -87.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -798.561852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.561852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.561852 (E_RNA)
where:
Base-Base interactions energy: -546.649
where: short stacking energy: -234.056
Base-Backbone interact. energy: 0.036
local terms energy: -251.948900
where:
bonds (distance) C4'-P energy: -50.247
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -30.939
tors. eta vs tors. theta energy: -68.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -809.830573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.830573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.830573 (E_RNA)
where:
Base-Base interactions energy: -560.253
where: short stacking energy: -225.035
Base-Backbone interact. energy: -2.188
local terms energy: -247.389436
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -48.560
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -46.376
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: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -782.543141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.543141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.543141 (E_RNA)
where:
Base-Base interactions energy: -539.521
where: short stacking energy: -210.703
Base-Backbone interact. energy: -0.830
local terms energy: -242.191961
where:
bonds (distance) C4'-P energy: -49.110
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -62.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -678.164556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.164556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.164556 (E_RNA)
where:
Base-Base interactions energy: -464.029
where: short stacking energy: -193.764
Base-Backbone interact. energy: -0.283
local terms energy: -213.852118
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -47.004
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -48.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -621.110986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.110986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.110986 (E_RNA)
where:
Base-Base interactions energy: -410.669
where: short stacking energy: -175.539
Base-Backbone interact. energy: -1.075
local terms energy: -209.367167
where:
bonds (distance) C4'-P energy: -44.048
bonds (distance) P-C4' energy: -52.543
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -40.289
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: 25
Temperature: 1.350000
Total energy: -555.414865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.414865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.414865 (E_RNA)
where:
Base-Base interactions energy: -372.976
where: short stacking energy: -150.075
Base-Backbone interact. energy: -1.155
local terms energy: -181.283418
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -972.705597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.705597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.705597 (E_RNA)
where:
Base-Base interactions energy: -674.354
where: short stacking energy: -298.111
Base-Backbone interact. energy: 0.422
local terms energy: -298.773509
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -41.826
tors. eta vs tors. theta energy: -88.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -968.493531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.493531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.493531 (E_RNA)
where:
Base-Base interactions energy: -660.319
where: short stacking energy: -291.785
Base-Backbone interact. energy: -0.843
local terms energy: -307.331080
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -51.793
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -90.004
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -916.234334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.234334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.234334 (E_RNA)
where:
Base-Base interactions energy: -631.890
where: short stacking energy: -280.385
Base-Backbone interact. energy: -0.080
local terms energy: -284.264772
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -88.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -875.055892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.055892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.055892 (E_RNA)
where:
Base-Base interactions energy: -638.658
where: short stacking energy: -255.439
Base-Backbone interact. energy: -0.647
local terms energy: -235.750777
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -72.870
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: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -815.932427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.932427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.932427 (E_RNA)
where:
Base-Base interactions energy: -569.964
where: short stacking energy: -239.730
Base-Backbone interact. energy: -0.383
local terms energy: -245.584935
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -68.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -804.572420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.572420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.572420 (E_RNA)
where:
Base-Base interactions energy: -558.933
where: short stacking energy: -245.219
Base-Backbone interact. energy: 1.073
local terms energy: -246.711850
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -69.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -765.419527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.419527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.419527 (E_RNA)
where:
Base-Base interactions energy: -526.626
where: short stacking energy: -225.776
Base-Backbone interact. energy: -0.320
local terms energy: -238.473598
where:
bonds (distance) C4'-P energy: -40.895
bonds (distance) P-C4' energy: -47.855
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -55.616
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: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -690.928416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.928416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.928416 (E_RNA)
where:
Base-Base interactions energy: -455.273
where: short stacking energy: -188.167
Base-Backbone interact. energy: -1.702
local terms energy: -233.953598
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -53.377
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -53.020
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -607.468824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.468824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.468824 (E_RNA)
where:
Base-Base interactions energy: -415.889
where: short stacking energy: -178.280
Base-Backbone interact. energy: -0.693
local terms energy: -190.887072
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -43.140
flat angles P-C4'-P energy: -24.872
tors. eta vs tors. theta energy: -40.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -628.003295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.003295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.003295 (E_RNA)
where:
Base-Base interactions energy: -431.475
where: short stacking energy: -177.007
Base-Backbone interact. energy: -0.442
local terms energy: -196.086176
where:
bonds (distance) C4'-P energy: -47.121
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -976.525245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.525245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.525245 (E_RNA)
where:
Base-Base interactions energy: -676.644
where: short stacking energy: -279.793
Base-Backbone interact. energy: 0.221
local terms energy: -300.101819
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -85.852
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: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -958.549794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.549794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.549794 (E_RNA)
where:
Base-Base interactions energy: -672.561
where: short stacking energy: -292.783
Base-Backbone interact. energy: -0.423
local terms energy: -285.566057
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -58.208
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -86.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -917.651445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.651445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.651445 (E_RNA)
where:
Base-Base interactions energy: -639.399
where: short stacking energy: -276.917
Base-Backbone interact. energy: -1.350
local terms energy: -276.902321
where:
bonds (distance) C4'-P energy: -49.452
bonds (distance) P-C4' energy: -57.534
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: -82.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -856.048398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.048398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.048398 (E_RNA)
where:
Base-Base interactions energy: -606.532
where: short stacking energy: -248.677
Base-Backbone interact. energy: -0.488
local terms energy: -249.028043
where:
bonds (distance) C4'-P energy: -48.006
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -68.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -797.725287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.725287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.725287 (E_RNA)
where:
Base-Base interactions energy: -555.354
where: short stacking energy: -243.572
Base-Backbone interact. energy: -0.585
local terms energy: -241.785934
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -45.879
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -62.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -779.678745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.678745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.678745 (E_RNA)
where:
Base-Base interactions energy: -544.559
where: short stacking energy: -223.566
Base-Backbone interact. energy: 0.025
local terms energy: -235.145048
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -42.770
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -60.613
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: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -789.001187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.001187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.001187 (E_RNA)
where:
Base-Base interactions energy: -558.656
where: short stacking energy: -250.676
Base-Backbone interact. energy: -0.172
local terms energy: -230.172906
where:
bonds (distance) C4'-P energy: -42.507
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -72.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -679.381196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.381196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.381196 (E_RNA)
where:
Base-Base interactions energy: -468.409
where: short stacking energy: -190.441
Base-Backbone interact. energy: -0.640
local terms energy: -210.331885
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -51.881
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -51.396
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: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -589.621994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.621994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.621994 (E_RNA)
where:
Base-Base interactions energy: -409.086
where: short stacking energy: -176.654
Base-Backbone interact. energy: 4.799
local terms energy: -185.334461
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -37.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -476.243951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.243951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.243951 (E_RNA)
where:
Base-Base interactions energy: -310.447
where: short stacking energy: -136.846
Base-Backbone interact. energy: -0.447
local terms energy: -165.349624
where:
bonds (distance) C4'-P energy: -34.485
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -986.310773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.310773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.310773 (E_RNA)
where:
Base-Base interactions energy: -688.690
where: short stacking energy: -309.261
Base-Backbone interact. energy: -0.298
local terms energy: -297.323077
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -55.274
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -91.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -952.941657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.941657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.941657 (E_RNA)
where:
Base-Base interactions energy: -676.573
where: short stacking energy: -284.619
Base-Backbone interact. energy: -0.431
local terms energy: -275.937292
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -58.861
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -90.465
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: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -942.911960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.911960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.911960 (E_RNA)
where:
Base-Base interactions energy: -655.873
where: short stacking energy: -295.487
Base-Backbone interact. energy: -1.142
local terms energy: -285.897302
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -62.640
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -88.431
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -863.643829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.643829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.643829 (E_RNA)
where:
Base-Base interactions energy: -600.853
where: short stacking energy: -256.556
Base-Backbone interact. energy: -0.828
local terms energy: -261.963015
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -78.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -797.765476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.765476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.765476 (E_RNA)
where:
Base-Base interactions energy: -552.332
where: short stacking energy: -233.561
Base-Backbone interact. energy: -1.505
local terms energy: -243.928302
where:
bonds (distance) C4'-P energy: -47.169
bonds (distance) P-C4' energy: -41.806
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -61.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -808.246942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.246942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.246942 (E_RNA)
where:
Base-Base interactions energy: -561.280
where: short stacking energy: -245.931
Base-Backbone interact. energy: -1.048
local terms energy: -245.918723
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -38.739
tors. eta vs tors. theta energy: -73.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -780.898531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.898531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.898531 (E_RNA)
where:
Base-Base interactions energy: -540.428
where: short stacking energy: -239.747
Base-Backbone interact. energy: -0.764
local terms energy: -239.707296
where:
bonds (distance) C4'-P energy: -47.434
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -47.038
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -69.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -694.598583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.598583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.598583 (E_RNA)
where:
Base-Base interactions energy: -473.477
where: short stacking energy: -202.138
Base-Backbone interact. energy: 0.166
local terms energy: -221.286673
where:
bonds (distance) C4'-P energy: -51.731
bonds (distance) P-C4' energy: -44.900
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -48.180
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -585.602572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.602572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.602572 (E_RNA)
where:
Base-Base interactions energy: -390.763
where: short stacking energy: -163.400
Base-Backbone interact. energy: -1.271
local terms energy: -193.568724
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -54.595
flat angles C4'-P-C4' energy: -43.335
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -461.832537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.832537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.832537 (E_RNA)
where:
Base-Base interactions energy: -284.709
where: short stacking energy: -140.285
Base-Backbone interact. energy: 0.261
local terms energy: -177.384240
where:
bonds (distance) C4'-P energy: -35.871
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -52.145
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -971.979253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.979253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.979253 (E_RNA)
where:
Base-Base interactions energy: -686.711
where: short stacking energy: -300.302
Base-Backbone interact. energy: 2.227
local terms energy: -287.495165
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -39.826
tors. eta vs tors. theta energy: -87.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -947.805220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.805220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.805220 (E_RNA)
where:
Base-Base interactions energy: -671.527
where: short stacking energy: -291.769
Base-Backbone interact. energy: 5.410
local terms energy: -281.688002
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -49.424
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: -84.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -933.302752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.302752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.302752 (E_RNA)
where:
Base-Base interactions energy: -651.114
where: short stacking energy: -278.125
Base-Backbone interact. energy: -0.344
local terms energy: -281.844451
where:
bonds (distance) C4'-P energy: -57.130
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -55.797
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -85.956
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: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -873.685904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.685904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.685904 (E_RNA)
where:
Base-Base interactions energy: -608.705
where: short stacking energy: -261.705
Base-Backbone interact. energy: -1.381
local terms energy: -263.600224
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -45.712
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -74.414
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: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -794.929700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.929700 (E_RNA)
where:
Base-Base interactions energy: -531.424
where: short stacking energy: -226.082
Base-Backbone interact. energy: -0.325
local terms energy: -263.180612
where:
bonds (distance) C4'-P energy: -44.405
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -55.801
flat angles P-C4'-P energy: -42.492
tors. eta vs tors. theta energy: -73.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -794.398697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.398697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.398697 (E_RNA)
where:
Base-Base interactions energy: -542.112
where: short stacking energy: -239.528
Base-Backbone interact. energy: -0.090
local terms energy: -252.195986
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -42.323
flat angles C4'-P-C4' energy: -58.169
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -72.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -786.536275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.536275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.536275 (E_RNA)
where:
Base-Base interactions energy: -547.356
where: short stacking energy: -239.456
Base-Backbone interact. energy: -1.009
local terms energy: -238.171321
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -49.812
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -63.698
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -736.317286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.317286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.317286 (E_RNA)
where:
Base-Base interactions energy: -512.444
where: short stacking energy: -232.464
Base-Backbone interact. energy: -0.772
local terms energy: -223.101354
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -46.785
flat angles C4'-P-C4' energy: -46.371
flat angles P-C4'-P energy: -33.443
tors. eta vs tors. theta energy: -66.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -574.654963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.654963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.654963 (E_RNA)
where:
Base-Base interactions energy: -389.106
where: short stacking energy: -169.093
Base-Backbone interact. energy: -0.846
local terms energy: -184.703689
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -32.823
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -406.163099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.163099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.163099 (E_RNA)
where:
Base-Base interactions energy: -234.204
where: short stacking energy: -112.944
Base-Backbone interact. energy: -0.734
local terms energy: -171.225206
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -19.678
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: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -983.547393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.547393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.547393 (E_RNA)
where:
Base-Base interactions energy: -675.561
where: short stacking energy: -313.302
Base-Backbone interact. energy: -1.374
local terms energy: -306.612174
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -52.077
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -92.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -959.998333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.998333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.998333 (E_RNA)
where:
Base-Base interactions energy: -665.128
where: short stacking energy: -286.595
Base-Backbone interact. energy: -0.684
local terms energy: -294.186028
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -91.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -925.281269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.281269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.281269 (E_RNA)
where:
Base-Base interactions energy: -633.915
where: short stacking energy: -275.863
Base-Backbone interact. energy: -0.900
local terms energy: -290.465752
where:
bonds (distance) C4'-P energy: -54.000
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -59.932
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -91.466
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: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -857.760941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.760941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.760941 (E_RNA)
where:
Base-Base interactions energy: -595.786
where: short stacking energy: -247.337
Base-Backbone interact. energy: 0.025
local terms energy: -261.999880
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -52.276
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -70.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -784.729689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.729689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.729689 (E_RNA)
where:
Base-Base interactions energy: -526.894
where: short stacking energy: -218.809
Base-Backbone interact. energy: -0.717
local terms energy: -257.117983
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -39.638
tors. eta vs tors. theta energy: -59.516
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: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -789.215432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.215432 (E_RNA)
where:
Base-Base interactions energy: -545.658
where: short stacking energy: -244.201
Base-Backbone interact. energy: -0.604
local terms energy: -242.953847
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -66.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -766.843841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.843841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.843841 (E_RNA)
where:
Base-Base interactions energy: -526.447
where: short stacking energy: -224.700
Base-Backbone interact. energy: -0.753
local terms energy: -239.644628
where:
bonds (distance) C4'-P energy: -40.523
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -60.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -749.251478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.251478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.251478 (E_RNA)
where:
Base-Base interactions energy: -535.380
where: short stacking energy: -227.512
Base-Backbone interact. energy: -0.390
local terms energy: -213.480916
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: -65.203
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -596.650388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.650388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.650388 (E_RNA)
where:
Base-Base interactions energy: -399.314
where: short stacking energy: -178.287
Base-Backbone interact. energy: -0.653
local terms energy: -196.683307
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -49.664
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -420.692029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.692029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.692029 (E_RNA)
where:
Base-Base interactions energy: -258.969
where: short stacking energy: -107.611
Base-Backbone interact. energy: 0.374
local terms energy: -162.097356
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -46.708
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -9.004
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: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -971.179173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.179173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.179173 (E_RNA)
where:
Base-Base interactions energy: -673.651
where: short stacking energy: -291.726
Base-Backbone interact. energy: 0.271
local terms energy: -297.799682
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -59.423
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -88.144
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -950.282604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.282604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.282604 (E_RNA)
where:
Base-Base interactions energy: -643.172
where: short stacking energy: -270.238
Base-Backbone interact. energy: 0.264
local terms energy: -307.374465
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -54.136
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -85.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -921.025621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.025621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.025621 (E_RNA)
where:
Base-Base interactions energy: -635.009
where: short stacking energy: -270.688
Base-Backbone interact. energy: -0.740
local terms energy: -285.277225
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -61.058
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -87.513
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: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -799.488541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.488541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.488541 (E_RNA)
where:
Base-Base interactions energy: -544.285
where: short stacking energy: -232.691
Base-Backbone interact. energy: -0.481
local terms energy: -254.722404
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -59.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -822.902646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.902646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.902646 (E_RNA)
where:
Base-Base interactions energy: -571.862
where: short stacking energy: -254.532
Base-Backbone interact. energy: -0.096
local terms energy: -250.944002
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -51.614
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: -70.768
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: 31
Temperature: 1.150000
Total energy: -789.358889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.358889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.358889 (E_RNA)
where:
Base-Base interactions energy: -540.715
where: short stacking energy: -223.061
Base-Backbone interact. energy: -2.437
local terms energy: -246.206698
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -66.459
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -791.654251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.654251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.654251 (E_RNA)
where:
Base-Base interactions energy: -533.517
where: short stacking energy: -222.839
Base-Backbone interact. energy: -1.479
local terms energy: -256.657866
where:
bonds (distance) C4'-P energy: -54.706
bonds (distance) P-C4' energy: -50.501
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -64.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -726.837222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.837222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.837222 (E_RNA)
where:
Base-Base interactions energy: -508.272
where: short stacking energy: -202.931
Base-Backbone interact. energy: -0.427
local terms energy: -218.138475
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -30.373
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -614.258984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.258984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.258984 (E_RNA)
where:
Base-Base interactions energy: -411.064
where: short stacking energy: -172.217
Base-Backbone interact. energy: -1.047
local terms energy: -202.148747
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -40.518
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -42.001
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: 31
Temperature: 1.350000
Total energy: -386.171940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.171940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.171940 (E_RNA)
where:
Base-Base interactions energy: -219.549
where: short stacking energy: -112.461
Base-Backbone interact. energy: 0.650
local terms energy: -167.272971
where:
bonds (distance) C4'-P energy: -42.920
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -44.627
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -962.179443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.179443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.179443 (E_RNA)
where:
Base-Base interactions energy: -646.395
where: short stacking energy: -286.488
Base-Backbone interact. energy: -0.639
local terms energy: -315.145240
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -89.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -952.775890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.775890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.775890 (E_RNA)
where:
Base-Base interactions energy: -667.997
where: short stacking energy: -277.252
Base-Backbone interact. energy: -0.161
local terms energy: -284.617905
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -56.091
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -80.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -924.687212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.687212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.687212 (E_RNA)
where:
Base-Base interactions energy: -646.116
where: short stacking energy: -266.711
Base-Backbone interact. energy: -1.490
local terms energy: -277.081037
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -81.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -843.874385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.874385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.874385 (E_RNA)
where:
Base-Base interactions energy: -573.255
where: short stacking energy: -238.417
Base-Backbone interact. energy: -0.793
local terms energy: -269.826480
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -51.226
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -36.229
tors. eta vs tors. theta energy: -66.227
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: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -792.407272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.407272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.407272 (E_RNA)
where:
Base-Base interactions energy: -547.339
where: short stacking energy: -241.166
Base-Backbone interact. energy: 0.698
local terms energy: -245.765965
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -52.390
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -64.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -803.616416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.616416 (E_RNA)
where:
Base-Base interactions energy: -565.684
where: short stacking energy: -243.613
Base-Backbone interact. energy: -1.006
local terms energy: -236.926602
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -61.804
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -64.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -807.789914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.789914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.789914 (E_RNA)
where:
Base-Base interactions energy: -547.216
where: short stacking energy: -226.887
Base-Backbone interact. energy: -0.906
local terms energy: -259.667816
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -54.059
flat angles P-C4'-P energy: -42.529
tors. eta vs tors. theta energy: -65.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -717.828336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.828336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.828336 (E_RNA)
where:
Base-Base interactions energy: -495.411
where: short stacking energy: -206.907
Base-Backbone interact. energy: -1.199
local terms energy: -221.218324
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -45.965
flat angles P-C4'-P energy: -31.848
tors. eta vs tors. theta energy: -51.822
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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -661.083194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.083194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.083194 (E_RNA)
where:
Base-Base interactions energy: -446.100
where: short stacking energy: -189.713
Base-Backbone interact. energy: -1.358
local terms energy: -213.625775
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -54.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -388.014362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.014362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.014362 (E_RNA)
where:
Base-Base interactions energy: -227.000
where: short stacking energy: -103.713
Base-Backbone interact. energy: -0.036
local terms energy: -160.978109
where:
bonds (distance) C4'-P energy: -41.172
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -10.992
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: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -975.245489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.245489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.245489 (E_RNA)
where:
Base-Base interactions energy: -683.926
where: short stacking energy: -287.601
Base-Backbone interact. energy: -0.434
local terms energy: -290.885300
where:
bonds (distance) C4'-P energy: -58.944
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -57.353
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -81.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -941.531917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.531917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.531917 (E_RNA)
where:
Base-Base interactions energy: -637.194
where: short stacking energy: -291.935
Base-Backbone interact. energy: -1.345
local terms energy: -302.992143
where:
bonds (distance) C4'-P energy: -54.435
bonds (distance) P-C4' energy: -60.063
flat angles C4'-P-C4' energy: -60.131
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -87.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -925.517966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.517966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.517966 (E_RNA)
where:
Base-Base interactions energy: -650.692
where: short stacking energy: -275.835
Base-Backbone interact. energy: -0.981
local terms energy: -273.844785
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -50.271
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -42.780
tors. eta vs tors. theta energy: -77.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -839.761216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.761216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.761216 (E_RNA)
where:
Base-Base interactions energy: -576.040
where: short stacking energy: -255.335
Base-Backbone interact. energy: -0.329
local terms energy: -263.392576
where:
bonds (distance) C4'-P energy: -52.979
bonds (distance) P-C4' energy: -45.646
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -72.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -801.938178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.938178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.938178 (E_RNA)
where:
Base-Base interactions energy: -555.354
where: short stacking energy: -227.577
Base-Backbone interact. energy: 2.459
local terms energy: -249.042544
where:
bonds (distance) C4'-P energy: -40.344
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: -69.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -804.026246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.026246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.026246 (E_RNA)
where:
Base-Base interactions energy: -547.750
where: short stacking energy: -244.285
Base-Backbone interact. energy: -0.478
local terms energy: -255.798481
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -53.504
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -32.668
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -793.964990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.964990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.964990 (E_RNA)
where:
Base-Base interactions energy: -550.203
where: short stacking energy: -229.784
Base-Backbone interact. energy: -0.473
local terms energy: -243.288562
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -66.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -666.187733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.187733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.187733 (E_RNA)
where:
Base-Base interactions energy: -454.204
where: short stacking energy: -189.087
Base-Backbone interact. energy: -4.061
local terms energy: -207.923245
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -39.356
flat angles C4'-P-C4' energy: -56.101
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -50.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -608.221630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.221630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.221630 (E_RNA)
where:
Base-Base interactions energy: -412.665
where: short stacking energy: -160.573
Base-Backbone interact. energy: 2.302
local terms energy: -197.858622
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -38.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -410.938357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.938357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.938357 (E_RNA)
where:
Base-Base interactions energy: -229.506
where: short stacking energy: -103.481
Base-Backbone interact. energy: -2.280
local terms energy: -179.153049
where:
bonds (distance) C4'-P energy: -47.106
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -968.063278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.063278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.063278 (E_RNA)
where:
Base-Base interactions energy: -671.060
where: short stacking energy: -305.048
Base-Backbone interact. energy: -0.654
local terms energy: -296.349019
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -64.472
flat angles P-C4'-P energy: -45.524
tors. eta vs tors. theta energy: -88.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -953.410952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.410952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.410952 (E_RNA)
where:
Base-Base interactions energy: -651.908
where: short stacking energy: -284.167
Base-Backbone interact. energy: -1.069
local terms energy: -300.433474
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -52.699
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -92.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -903.285794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.285794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.285794 (E_RNA)
where:
Base-Base interactions energy: -625.055
where: short stacking energy: -254.972
Base-Backbone interact. energy: 0.660
local terms energy: -278.890849
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -58.180
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -80.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -862.530026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.530026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.530026 (E_RNA)
where:
Base-Base interactions energy: -595.373
where: short stacking energy: -253.824
Base-Backbone interact. energy: -0.484
local terms energy: -266.673230
where:
bonds (distance) C4'-P energy: -45.574
bonds (distance) P-C4' energy: -48.082
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -71.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -805.372102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.372102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.372102 (E_RNA)
where:
Base-Base interactions energy: -567.586
where: short stacking energy: -243.023
Base-Backbone interact. energy: -0.019
local terms energy: -237.767142
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -39.654
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -67.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -786.195420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.195420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.195420 (E_RNA)
where:
Base-Base interactions energy: -555.031
where: short stacking energy: -224.843
Base-Backbone interact. energy: -1.060
local terms energy: -230.104621
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -51.882
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -66.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -788.060447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.060447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.060447 (E_RNA)
where:
Base-Base interactions energy: -539.888
where: short stacking energy: -228.279
Base-Backbone interact. energy: 1.006
local terms energy: -249.178488
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -52.181
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -63.368
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: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -655.090751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.090751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.090751 (E_RNA)
where:
Base-Base interactions energy: -451.132
where: short stacking energy: -196.768
Base-Backbone interact. energy: 0.484
local terms energy: -204.442749
where:
bonds (distance) C4'-P energy: -37.681
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -26.004
tors. eta vs tors. theta energy: -51.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -591.088301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.088301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.088301 (E_RNA)
where:
Base-Base interactions energy: -393.508
where: short stacking energy: -173.553
Base-Backbone interact. energy: 1.277
local terms energy: -198.856913
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -44.187
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -45.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -420.621687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.621687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.621687 (E_RNA)
where:
Base-Base interactions energy: -236.278
where: short stacking energy: -125.109
Base-Backbone interact. energy: 2.144
local terms energy: -186.488267
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -49.101
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -18.299
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -968.907811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.907811 (E_RNA)
where:
Base-Base interactions energy: -681.415
where: short stacking energy: -291.301
Base-Backbone interact. energy: -1.070
local terms energy: -286.422471
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -86.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -943.798548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.798548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.798548 (E_RNA)
where:
Base-Base interactions energy: -650.118
where: short stacking energy: -287.613
Base-Backbone interact. energy: 0.781
local terms energy: -294.461211
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -60.646
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -89.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -926.428537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.428537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.428537 (E_RNA)
where:
Base-Base interactions energy: -653.539
where: short stacking energy: -271.934
Base-Backbone interact. energy: -1.000
local terms energy: -271.890084
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -56.649
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -80.832
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -830.259300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.259300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.259300 (E_RNA)
where:
Base-Base interactions energy: -586.440
where: short stacking energy: -242.255
Base-Backbone interact. energy: -0.723
local terms energy: -243.096410
where:
bonds (distance) C4'-P energy: -49.312
bonds (distance) P-C4' energy: -39.494
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -68.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -807.396827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.396827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.396827 (E_RNA)
where:
Base-Base interactions energy: -566.431
where: short stacking energy: -250.030
Base-Backbone interact. energy: -0.182
local terms energy: -240.783852
where:
bonds (distance) C4'-P energy: -47.250
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -70.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -812.579812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.579812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.579812 (E_RNA)
where:
Base-Base interactions energy: -576.468
where: short stacking energy: -249.614
Base-Backbone interact. energy: -1.411
local terms energy: -234.701270
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -44.187
flat angles P-C4'-P energy: -28.351
tors. eta vs tors. theta energy: -72.356
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -754.572332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.572332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.572332 (E_RNA)
where:
Base-Base interactions energy: -538.946
where: short stacking energy: -224.066
Base-Backbone interact. energy: -0.962
local terms energy: -214.664790
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -58.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -611.572694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.572694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.572694 (E_RNA)
where:
Base-Base interactions energy: -409.699
where: short stacking energy: -164.487
Base-Backbone interact. energy: 1.412
local terms energy: -203.285800
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -45.963
flat angles C4'-P-C4' energy: -40.945
flat angles P-C4'-P energy: -31.967
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: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -627.906298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.906298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.906298 (E_RNA)
where:
Base-Base interactions energy: -427.673
where: short stacking energy: -174.413
Base-Backbone interact. energy: -0.404
local terms energy: -199.829595
where:
bonds (distance) C4'-P energy: -42.151
bonds (distance) P-C4' energy: -48.974
flat angles C4'-P-C4' energy: -44.158
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: -36.101
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: 35
Temperature: 1.350000
Total energy: -401.464459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.464459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.464459 (E_RNA)
where:
Base-Base interactions energy: -237.897
where: short stacking energy: -119.168
Base-Backbone interact. energy: -0.870
local terms energy: -162.696608
where:
bonds (distance) C4'-P energy: -42.980
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -976.062887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.062887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.062887 (E_RNA)
where:
Base-Base interactions energy: -686.687
where: short stacking energy: -289.629
Base-Backbone interact. energy: 0.464
local terms energy: -289.840104
where:
bonds (distance) C4'-P energy: -54.049
bonds (distance) P-C4' energy: -51.905
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -85.169
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -946.160957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.160957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.160957 (E_RNA)
where:
Base-Base interactions energy: -657.574
where: short stacking energy: -287.626
Base-Backbone interact. energy: -0.756
local terms energy: -287.831112
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -52.447
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -41.388
tors. eta vs tors. theta energy: -84.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -913.940146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.940146 (E_RNA)
where:
Base-Base interactions energy: -624.145
where: short stacking energy: -281.591
Base-Backbone interact. energy: -1.370
local terms energy: -288.425702
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -89.993
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: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -861.782247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.782247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.782247 (E_RNA)
where:
Base-Base interactions energy: -571.357
where: short stacking energy: -261.991
Base-Backbone interact. energy: 0.868
local terms energy: -291.292806
where:
bonds (distance) C4'-P energy: -59.356
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -57.157
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -77.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -816.411612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.411612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.411612 (E_RNA)
where:
Base-Base interactions energy: -577.149
where: short stacking energy: -244.027
Base-Backbone interact. energy: -1.267
local terms energy: -237.996143
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -67.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -804.014168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.014168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.014168 (E_RNA)
where:
Base-Base interactions energy: -565.863
where: short stacking energy: -250.131
Base-Backbone interact. energy: -1.000
local terms energy: -237.151727
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -68.008
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -746.775542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.775542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.775542 (E_RNA)
where:
Base-Base interactions energy: -519.870
where: short stacking energy: -202.299
Base-Backbone interact. energy: -0.863
local terms energy: -226.042017
where:
bonds (distance) C4'-P energy: -41.893
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -37.777
tors. eta vs tors. theta energy: -54.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -622.518032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.518032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.518032 (E_RNA)
where:
Base-Base interactions energy: -417.979
where: short stacking energy: -181.701
Base-Backbone interact. energy: -0.303
local terms energy: -204.235983
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -616.693913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.693913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.693913 (E_RNA)
where:
Base-Base interactions energy: -424.465
where: short stacking energy: -183.578
Base-Backbone interact. energy: -1.462
local terms energy: -190.766324
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -41.969
flat angles C4'-P-C4' energy: -46.700
flat angles P-C4'-P energy: -31.618
tors. eta vs tors. theta energy: -43.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -374.983636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.983636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.983636 (E_RNA)
where:
Base-Base interactions energy: -208.275
where: short stacking energy: -103.518
Base-Backbone interact. energy: 0.050
local terms energy: -166.758908
where:
bonds (distance) C4'-P energy: -47.283
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -6.883
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: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -986.418851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.418851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.418851 (E_RNA)
where:
Base-Base interactions energy: -682.128
where: short stacking energy: -288.405
Base-Backbone interact. energy: -0.143
local terms energy: -304.148478
where:
bonds (distance) C4'-P energy: -50.991
bonds (distance) P-C4' energy: -57.669
flat angles C4'-P-C4' energy: -63.565
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -87.433
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -969.422710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.422710 (E_RNA)
where:
Base-Base interactions energy: -676.596
where: short stacking energy: -301.393
Base-Backbone interact. energy: -0.656
local terms energy: -292.170680
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -48.122
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -91.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -921.241373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.241373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.241373 (E_RNA)
where:
Base-Base interactions energy: -626.933
where: short stacking energy: -275.951
Base-Backbone interact. energy: -0.583
local terms energy: -293.725802
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -52.278
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -87.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -852.580480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.580480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.580480 (E_RNA)
where:
Base-Base interactions energy: -578.915
where: short stacking energy: -243.444
Base-Backbone interact. energy: -0.666
local terms energy: -272.999442
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -44.137
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: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -827.555595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.555595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.555595 (E_RNA)
where:
Base-Base interactions energy: -565.626
where: short stacking energy: -246.199
Base-Backbone interact. energy: 2.398
local terms energy: -264.327167
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -53.652
flat angles C4'-P-C4' energy: -55.491
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -70.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -773.427081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.427081 (E_RNA)
where:
Base-Base interactions energy: -535.631
where: short stacking energy: -234.482
Base-Backbone interact. energy: -1.020
local terms energy: -236.775713
where:
bonds (distance) C4'-P energy: -36.284
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -69.782
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: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -793.203587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.203587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.203587 (E_RNA)
where:
Base-Base interactions energy: -546.061
where: short stacking energy: -230.647
Base-Backbone interact. energy: -1.068
local terms energy: -246.074258
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -41.413
flat angles C4'-P-C4' energy: -54.072
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -73.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -655.078469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.078469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.078469 (E_RNA)
where:
Base-Base interactions energy: -455.406
where: short stacking energy: -194.899
Base-Backbone interact. energy: -0.675
local terms energy: -198.997971
where:
bonds (distance) C4'-P energy: -41.981
bonds (distance) P-C4' energy: -34.186
flat angles C4'-P-C4' energy: -42.159
flat angles P-C4'-P energy: -29.339
tors. eta vs tors. theta energy: -51.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -598.847463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.847463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.847463 (E_RNA)
where:
Base-Base interactions energy: -394.701
where: short stacking energy: -178.661
Base-Backbone interact. energy: -0.371
local terms energy: -203.775494
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -47.367
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: 37
Temperature: 1.350000
Total energy: -295.214075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.214075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.214075 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -84.728
Base-Backbone interact. energy: -0.622
local terms energy: -131.267752
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: 12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -966.254105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.254105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.254105 (E_RNA)
where:
Base-Base interactions energy: -678.165
where: short stacking energy: -283.905
Base-Backbone interact. energy: 1.464
local terms energy: -289.553568
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -81.506
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: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -960.348910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.348910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.348910 (E_RNA)
where:
Base-Base interactions energy: -684.151
where: short stacking energy: -292.540
Base-Backbone interact. energy: -0.939
local terms energy: -275.259099
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: -83.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -931.294271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.294271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.294271 (E_RNA)
where:
Base-Base interactions energy: -634.152
where: short stacking energy: -282.916
Base-Backbone interact. energy: -1.580
local terms energy: -295.561455
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -52.554
flat angles C4'-P-C4' energy: -59.411
flat angles P-C4'-P energy: -48.480
tors. eta vs tors. theta energy: -87.604
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -838.783535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.783535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.783535 (E_RNA)
where:
Base-Base interactions energy: -577.986
where: short stacking energy: -261.176
Base-Backbone interact. energy: 3.839
local terms energy: -264.636858
where:
bonds (distance) C4'-P energy: -47.637
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -70.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -801.243473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.243473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.243473 (E_RNA)
where:
Base-Base interactions energy: -551.624
where: short stacking energy: -234.073
Base-Backbone interact. energy: -0.246
local terms energy: -249.373491
where:
bonds (distance) C4'-P energy: -39.756
bonds (distance) P-C4' energy: -57.979
flat angles C4'-P-C4' energy: -50.877
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -66.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -798.149971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.149971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.149971 (E_RNA)
where:
Base-Base interactions energy: -557.861
where: short stacking energy: -229.398
Base-Backbone interact. energy: 0.387
local terms energy: -240.676585
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -58.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -792.779816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.779816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.779816 (E_RNA)
where:
Base-Base interactions energy: -552.925
where: short stacking energy: -240.248
Base-Backbone interact. energy: -1.107
local terms energy: -238.748503
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -71.607
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: 38
Temperature: 1.250000
Total energy: -660.046143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.046143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.046143 (E_RNA)
where:
Base-Base interactions energy: -440.364
where: short stacking energy: -190.086
Base-Backbone interact. energy: -0.380
local terms energy: -219.302589
where:
bonds (distance) C4'-P energy: -39.576
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -43.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -581.726155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.726155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.726155 (E_RNA)
where:
Base-Base interactions energy: -373.258
where: short stacking energy: -150.450
Base-Backbone interact. energy: 1.569
local terms energy: -210.037477
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -27.135
tors. eta vs tors. theta energy: -34.887
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: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -314.011865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.011865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.011865 (E_RNA)
where:
Base-Base interactions energy: -154.637
where: short stacking energy: -92.220
Base-Backbone interact. energy: -0.659
local terms energy: -158.716092
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -981.363605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.363605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.363605 (E_RNA)
where:
Base-Base interactions energy: -687.989
where: short stacking energy: -294.873
Base-Backbone interact. energy: -0.521
local terms energy: -292.853722
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -58.237
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -89.971
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: 39
Temperature: 0.950000
Total energy: -951.643064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.643064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.643064 (E_RNA)
where:
Base-Base interactions energy: -655.087
where: short stacking energy: -291.997
Base-Backbone interact. energy: -0.745
local terms energy: -295.810464
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -51.712
flat angles C4'-P-C4' energy: -61.405
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -94.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -924.066803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.066803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.066803 (E_RNA)
where:
Base-Base interactions energy: -648.632
where: short stacking energy: -281.608
Base-Backbone interact. energy: 4.509
local terms energy: -279.944332
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: -75.783
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -805.364736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.364736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.364736 (E_RNA)
where:
Base-Base interactions energy: -551.095
where: short stacking energy: -241.076
Base-Backbone interact. energy: 1.787
local terms energy: -256.056647
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -56.995
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -857.065423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.065423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.065423 (E_RNA)
where:
Base-Base interactions energy: -576.300
where: short stacking energy: -240.189
Base-Backbone interact. energy: -0.728
local terms energy: -280.038334
where:
bonds (distance) C4'-P energy: -50.719
bonds (distance) P-C4' energy: -52.480
flat angles C4'-P-C4' energy: -56.972
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -73.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -801.471282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.471282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.471282 (E_RNA)
where:
Base-Base interactions energy: -552.269
where: short stacking energy: -236.954
Base-Backbone interact. energy: -0.130
local terms energy: -249.072312
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -42.756
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -75.485
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: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -769.953876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.953876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.953876 (E_RNA)
where:
Base-Base interactions energy: -530.152
where: short stacking energy: -222.044
Base-Backbone interact. energy: -1.288
local terms energy: -238.513694
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -46.067
flat angles C4'-P-C4' energy: -50.437
flat angles P-C4'-P energy: -34.879
tors. eta vs tors. theta energy: -58.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -661.429463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.429463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.429463 (E_RNA)
where:
Base-Base interactions energy: -449.987
where: short stacking energy: -203.735
Base-Backbone interact. energy: -0.634
local terms energy: -210.809056
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -43.989
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -47.564
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: 39
Temperature: 1.300000
Total energy: -577.271518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.271518 (E_RNA)
where:
Base-Base interactions energy: -385.992
where: short stacking energy: -178.233
Base-Backbone interact. energy: 1.357
local terms energy: -192.636709
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -39.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -231.709102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.709102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.709102 (E_RNA)
where:
Base-Base interactions energy: -91.202
where: short stacking energy: -48.375
Base-Backbone interact. energy: -0.016
local terms energy: -140.491260
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -31.777
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: 20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -986.832489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.832489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.832489 (E_RNA)
where:
Base-Base interactions energy: -695.626
where: short stacking energy: -301.930
Base-Backbone interact. energy: -0.273
local terms energy: -290.933478
where:
bonds (distance) C4'-P energy: -47.994
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -57.936
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -85.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -930.446602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.446602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.446602 (E_RNA)
where:
Base-Base interactions energy: -643.382
where: short stacking energy: -278.182
Base-Backbone interact. energy: -1.056
local terms energy: -286.008470
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -65.543
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -89.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -917.438386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.438386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.438386 (E_RNA)
where:
Base-Base interactions energy: -653.549
where: short stacking energy: -277.436
Base-Backbone interact. energy: 0.022
local terms energy: -263.910696
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -72.612
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: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -811.412893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.412893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.412893 (E_RNA)
where:
Base-Base interactions energy: -554.775
where: short stacking energy: -247.906
Base-Backbone interact. energy: -0.962
local terms energy: -255.676047
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -74.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -829.501040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.501040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.501040 (E_RNA)
where:
Base-Base interactions energy: -565.226
where: short stacking energy: -235.291
Base-Backbone interact. energy: -0.621
local terms energy: -263.654183
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -34.424
tors. eta vs tors. theta energy: -72.226
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: 40
Temperature: 1.150000
Total energy: -824.816160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.816160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.816160 (E_RNA)
where:
Base-Base interactions energy: -573.215
where: short stacking energy: -254.552
Base-Backbone interact. energy: -0.204
local terms energy: -251.396912
where:
bonds (distance) C4'-P energy: -39.383
bonds (distance) P-C4' energy: -49.266
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -81.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -719.583933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.583933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.583933 (E_RNA)
where:
Base-Base interactions energy: -503.786
where: short stacking energy: -208.798
Base-Backbone interact. energy: -1.566
local terms energy: -214.231839
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -46.714
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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -750.355916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.355916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.355916 (E_RNA)
where:
Base-Base interactions energy: -518.911
where: short stacking energy: -215.589
Base-Backbone interact. energy: -0.629
local terms energy: -230.816349
where:
bonds (distance) C4'-P energy: -41.501
bonds (distance) P-C4' energy: -43.034
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -44.331
tors. eta vs tors. theta energy: -59.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -530.899777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.899777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.899777 (E_RNA)
where:
Base-Base interactions energy: -325.826
where: short stacking energy: -143.904
Base-Backbone interact. energy: -0.161
local terms energy: -204.913651
where:
bonds (distance) C4'-P energy: -38.267
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -37.296
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: 40
Temperature: 1.350000
Total energy: -233.055938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055938 (E_RNA)
where:
Base-Base interactions energy: -96.235
where: short stacking energy: -88.212
Base-Backbone interact. energy: -0.098
local terms energy: -136.723037
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -23.130
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -991.470854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.470854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.470854 (E_RNA)
where:
Base-Base interactions energy: -689.768
where: short stacking energy: -297.364
Base-Backbone interact. energy: -0.644
local terms energy: -301.059656
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -46.062
tors. eta vs tors. theta energy: -86.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -957.338689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.338689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.338689 (E_RNA)
where:
Base-Base interactions energy: -662.951
where: short stacking energy: -300.528
Base-Backbone interact. energy: -1.298
local terms energy: -293.089067
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -54.241
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -86.943
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: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -910.780587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.780587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.780587 (E_RNA)
where:
Base-Base interactions energy: -630.695
where: short stacking energy: -270.762
Base-Backbone interact. energy: -1.625
local terms energy: -278.460282
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -84.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -858.395877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.395877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.395877 (E_RNA)
where:
Base-Base interactions energy: -575.322
where: short stacking energy: -261.287
Base-Backbone interact. energy: 2.418
local terms energy: -285.491767
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -55.176
flat angles C4'-P-C4' energy: -59.900
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -73.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -780.466883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.466883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.466883 (E_RNA)
where:
Base-Base interactions energy: -535.152
where: short stacking energy: -230.868
Base-Backbone interact. energy: -1.482
local terms energy: -243.833206
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -52.812
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -66.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -823.253050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.253050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.253050 (E_RNA)
where:
Base-Base interactions energy: -570.356
where: short stacking energy: -237.876
Base-Backbone interact. energy: -0.926
local terms energy: -251.971472
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -50.601
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: -63.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -751.687502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.687502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.687502 (E_RNA)
where:
Base-Base interactions energy: -526.078
where: short stacking energy: -223.401
Base-Backbone interact. energy: -0.870
local terms energy: -224.739445
where:
bonds (distance) C4'-P energy: -40.235
bonds (distance) P-C4' energy: -49.488
flat angles C4'-P-C4' energy: -45.225
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -59.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -743.021443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.021443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.021443 (E_RNA)
where:
Base-Base interactions energy: -516.432
where: short stacking energy: -205.121
Base-Backbone interact. energy: -2.190
local terms energy: -224.400027
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -52.441
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -51.935
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -574.734611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.734611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.734611 (E_RNA)
where:
Base-Base interactions energy: -378.524
where: short stacking energy: -167.273
Base-Backbone interact. energy: 0.026
local terms energy: -196.237306
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -216.088487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.088487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.088487 (E_RNA)
where:
Base-Base interactions energy: -80.239
where: short stacking energy: -57.172
Base-Backbone interact. energy: 2.898
local terms energy: -138.748138
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -30.078
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: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -963.982344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.982344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.982344 (E_RNA)
where:
Base-Base interactions energy: -671.265
where: short stacking energy: -293.799
Base-Backbone interact. energy: -0.024
local terms energy: -292.693459
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -48.267
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -87.963
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -956.179141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.179141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.179141 (E_RNA)
where:
Base-Base interactions energy: -663.382
where: short stacking energy: -279.684
Base-Backbone interact. energy: 0.200
local terms energy: -292.996573
where:
bonds (distance) C4'-P energy: -52.666
bonds (distance) P-C4' energy: -43.521
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -86.875
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -909.599078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.599078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.599078 (E_RNA)
where:
Base-Base interactions energy: -627.254
where: short stacking energy: -269.996
Base-Backbone interact. energy: -1.656
local terms energy: -280.689374
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -52.663
flat angles C4'-P-C4' energy: -49.828
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -84.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -857.994392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.994392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.994392 (E_RNA)
where:
Base-Base interactions energy: -582.890
where: short stacking energy: -253.846
Base-Backbone interact. energy: 0.493
local terms energy: -275.596873
where:
bonds (distance) C4'-P energy: -46.074
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -75.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -854.918058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.918058 (E_RNA)
where:
Base-Base interactions energy: -585.490
where: short stacking energy: -258.736
Base-Backbone interact. energy: -2.136
local terms energy: -267.292550
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -42.884
flat angles C4'-P-C4' energy: -61.430
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: -79.416
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: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -758.079728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.079728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.079728 (E_RNA)
where:
Base-Base interactions energy: -515.077
where: short stacking energy: -212.698
Base-Backbone interact. energy: -0.588
local terms energy: -242.414872
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -32.193
tors. eta vs tors. theta energy: -63.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -756.686317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.686317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.686317 (E_RNA)
where:
Base-Base interactions energy: -532.271
where: short stacking energy: -232.055
Base-Backbone interact. energy: 1.304
local terms energy: -225.718867
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -61.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -750.033321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.033321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.033321 (E_RNA)
where:
Base-Base interactions energy: -508.456
where: short stacking energy: -204.825
Base-Backbone interact. energy: -1.767
local terms energy: -239.810086
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -34.686
tors. eta vs tors. theta energy: -62.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -581.492313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.492313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.492313 (E_RNA)
where:
Base-Base interactions energy: -378.379
where: short stacking energy: -151.905
Base-Backbone interact. energy: -0.105
local terms energy: -203.008636
where:
bonds (distance) C4'-P energy: -45.871
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -38.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -218.649366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.649366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.649366 (E_RNA)
where:
Base-Base interactions energy: -57.916
where: short stacking energy: -53.282
Base-Backbone interact. energy: 2.548
local terms energy: -163.281448
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: 6.253
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: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -966.877204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.877204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.877204 (E_RNA)
where:
Base-Base interactions energy: -671.595
where: short stacking energy: -293.619
Base-Backbone interact. energy: 0.529
local terms energy: -295.810934
where:
bonds (distance) C4'-P energy: -53.030
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -53.835
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -89.576
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: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -938.445972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.445972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.445972 (E_RNA)
where:
Base-Base interactions energy: -642.736
where: short stacking energy: -270.807
Base-Backbone interact. energy: -1.676
local terms energy: -294.034897
where:
bonds (distance) C4'-P energy: -57.663
bonds (distance) P-C4' energy: -55.030
flat angles C4'-P-C4' energy: -56.203
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -81.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -930.678896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.678896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.678896 (E_RNA)
where:
Base-Base interactions energy: -654.601
where: short stacking energy: -281.317
Base-Backbone interact. energy: -0.116
local terms energy: -275.961897
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -52.603
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -85.366
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: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -851.595799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.595799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.595799 (E_RNA)
where:
Base-Base interactions energy: -582.744
where: short stacking energy: -251.154
Base-Backbone interact. energy: 0.748
local terms energy: -269.600206
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -53.917
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -69.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -852.446256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.446256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.446256 (E_RNA)
where:
Base-Base interactions energy: -578.171
where: short stacking energy: -259.871
Base-Backbone interact. energy: -0.429
local terms energy: -273.846987
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -34.445
tors. eta vs tors. theta energy: -83.494
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: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -760.626173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.626173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.626173 (E_RNA)
where:
Base-Base interactions energy: -523.477
where: short stacking energy: -211.944
Base-Backbone interact. energy: -0.749
local terms energy: -236.399862
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -47.414
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -60.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -779.140123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.140123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.140123 (E_RNA)
where:
Base-Base interactions energy: -545.598
where: short stacking energy: -230.080
Base-Backbone interact. energy: 1.234
local terms energy: -234.776100
where:
bonds (distance) C4'-P energy: -38.278
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -52.244
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: -60.665
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: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -767.092076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.092076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.092076 (E_RNA)
where:
Base-Base interactions energy: -529.366
where: short stacking energy: -213.679
Base-Backbone interact. energy: -0.323
local terms energy: -237.402744
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -48.462
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -35.835
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -606.501550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.501550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.501550 (E_RNA)
where:
Base-Base interactions energy: -410.983
where: short stacking energy: -178.290
Base-Backbone interact. energy: -0.546
local terms energy: -194.971960
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -47.158
flat angles C4'-P-C4' energy: -46.947
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -39.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -237.652140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.652140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.652140 (E_RNA)
where:
Base-Base interactions energy: -98.030
where: short stacking energy: -63.520
Base-Backbone interact. energy: 1.448
local terms energy: -141.069442
where:
bonds (distance) C4'-P energy: -49.869
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: 2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -964.975106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.975106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.975106 (E_RNA)
where:
Base-Base interactions energy: -664.686
where: short stacking energy: -292.663
Base-Backbone interact. energy: 0.257
local terms energy: -300.546626
where:
bonds (distance) C4'-P energy: -53.007
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -92.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -948.955582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.955582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.955582 (E_RNA)
where:
Base-Base interactions energy: -650.656
where: short stacking energy: -285.765
Base-Backbone interact. energy: -0.891
local terms energy: -297.408449
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -92.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -933.362806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.362806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.362806 (E_RNA)
where:
Base-Base interactions energy: -657.089
where: short stacking energy: -285.424
Base-Backbone interact. energy: -1.135
local terms energy: -275.138785
where:
bonds (distance) C4'-P energy: -42.710
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -847.111674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.111674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.111674 (E_RNA)
where:
Base-Base interactions energy: -571.316
where: short stacking energy: -247.844
Base-Backbone interact. energy: -0.093
local terms energy: -275.702368
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -58.180
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -74.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -828.458817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.458817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.458817 (E_RNA)
where:
Base-Base interactions energy: -561.761
where: short stacking energy: -250.937
Base-Backbone interact. energy: -0.912
local terms energy: -265.786143
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -50.387
flat angles C4'-P-C4' energy: -57.416
flat angles P-C4'-P energy: -38.047
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: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -803.312326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.312326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.312326 (E_RNA)
where:
Base-Base interactions energy: -549.541
where: short stacking energy: -245.053
Base-Backbone interact. energy: 0.472
local terms energy: -254.242849
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -71.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -796.801755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.801755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.801755 (E_RNA)
where:
Base-Base interactions energy: -553.597
where: short stacking energy: -234.654
Base-Backbone interact. energy: -0.264
local terms energy: -242.940555
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -49.229
flat angles C4'-P-C4' energy: -49.352
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -69.918
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: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -719.842183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.842183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.842183 (E_RNA)
where:
Base-Base interactions energy: -496.549
where: short stacking energy: -213.838
Base-Backbone interact. energy: -1.278
local terms energy: -222.015028
where:
bonds (distance) C4'-P energy: -38.444
bonds (distance) P-C4' energy: -52.542
flat angles C4'-P-C4' energy: -52.575
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: -47.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -629.731394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.731394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.731394 (E_RNA)
where:
Base-Base interactions energy: -425.417
where: short stacking energy: -193.104
Base-Backbone interact. energy: 1.461
local terms energy: -205.775221
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -50.249
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -231.424742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.424742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.424742 (E_RNA)
where:
Base-Base interactions energy: -80.620
where: short stacking energy: -47.122
Base-Backbone interact. energy: -1.839
local terms energy: -148.966008
where:
bonds (distance) C4'-P energy: -36.495
bonds (distance) P-C4' energy: -56.333
flat angles C4'-P-C4' energy: -44.917
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: 15.183
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -972.867575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.867575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.867575 (E_RNA)
where:
Base-Base interactions energy: -671.998
where: short stacking energy: -287.831
Base-Backbone interact. energy: 0.449
local terms energy: -301.318600
where:
bonds (distance) C4'-P energy: -58.022
bonds (distance) P-C4' energy: -55.935
flat angles C4'-P-C4' energy: -60.549
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -86.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -940.511072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.511072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.511072 (E_RNA)
where:
Base-Base interactions energy: -656.473
where: short stacking energy: -287.372
Base-Backbone interact. energy: -2.056
local terms energy: -281.982540
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -48.270
flat angles C4'-P-C4' energy: -62.468
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: -89.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -946.763816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.763816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.763816 (E_RNA)
where:
Base-Base interactions energy: -651.519
where: short stacking energy: -275.667
Base-Backbone interact. energy: 0.701
local terms energy: -295.945496
where:
bonds (distance) C4'-P energy: -48.971
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -87.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -866.665545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.665545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.665545 (E_RNA)
where:
Base-Base interactions energy: -584.492
where: short stacking energy: -249.916
Base-Backbone interact. energy: 0.353
local terms energy: -282.526462
where:
bonds (distance) C4'-P energy: -56.360
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -74.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -827.219078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.219078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.219078 (E_RNA)
where:
Base-Base interactions energy: -573.922
where: short stacking energy: -243.855
Base-Backbone interact. energy: -1.015
local terms energy: -252.281812
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -73.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -782.100932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.100932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.100932 (E_RNA)
where:
Base-Base interactions energy: -541.114
where: short stacking energy: -233.805
Base-Backbone interact. energy: -1.288
local terms energy: -239.699448
where:
bonds (distance) C4'-P energy: -50.663
bonds (distance) P-C4' energy: -43.195
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -35.385
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -800.947009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.947009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.947009 (E_RNA)
where:
Base-Base interactions energy: -552.851
where: short stacking energy: -219.218
Base-Backbone interact. energy: 0.295
local terms energy: -248.390567
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -47.462
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -64.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -740.653004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.653004 (E_RNA)
where:
Base-Base interactions energy: -498.644
where: short stacking energy: -219.890
Base-Backbone interact. energy: -0.617
local terms energy: -241.391866
where:
bonds (distance) C4'-P energy: -49.194
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -55.520
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: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -704.058072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.058072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.058072 (E_RNA)
where:
Base-Base interactions energy: -487.121
where: short stacking energy: -202.051
Base-Backbone interact. energy: -0.525
local terms energy: -216.412354
where:
bonds (distance) C4'-P energy: -49.851
bonds (distance) P-C4' energy: -43.596
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -49.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -227.103855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.103855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.103855 (E_RNA)
where:
Base-Base interactions energy: -92.718
where: short stacking energy: -83.138
Base-Backbone interact. energy: -1.198
local terms energy: -133.188376
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -45.396
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: 3.053
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -973.938449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.938449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.938449 (E_RNA)
where:
Base-Base interactions energy: -676.603
where: short stacking energy: -281.311
Base-Backbone interact. energy: -1.199
local terms energy: -296.136032
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -60.744
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -89.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -950.557679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.557679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.557679 (E_RNA)
where:
Base-Base interactions energy: -653.756
where: short stacking energy: -294.108
Base-Backbone interact. energy: -1.293
local terms energy: -295.508534
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -54.721
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -87.821
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: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -912.612238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.612238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.612238 (E_RNA)
where:
Base-Base interactions energy: -628.585
where: short stacking energy: -278.429
Base-Backbone interact. energy: -3.205
local terms energy: -280.822886
where:
bonds (distance) C4'-P energy: -52.998
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -78.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -871.228320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.228320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.228320 (E_RNA)
where:
Base-Base interactions energy: -600.596
where: short stacking energy: -261.671
Base-Backbone interact. energy: -0.898
local terms energy: -269.733672
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -62.719
flat angles P-C4'-P energy: -39.785
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: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -837.361986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.361986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.361986 (E_RNA)
where:
Base-Base interactions energy: -579.866
where: short stacking energy: -242.919
Base-Backbone interact. energy: -1.135
local terms energy: -256.361305
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -39.399
tors. eta vs tors. theta energy: -64.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -786.873800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.873800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.873800 (E_RNA)
where:
Base-Base interactions energy: -536.875
where: short stacking energy: -218.456
Base-Backbone interact. energy: -0.477
local terms energy: -249.521909
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -64.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -789.765761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.765761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.765761 (E_RNA)
where:
Base-Base interactions energy: -547.768
where: short stacking energy: -238.435
Base-Backbone interact. energy: 0.705
local terms energy: -242.703698
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -71.988
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: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -711.960240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.960240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.960240 (E_RNA)
where:
Base-Base interactions energy: -482.202
where: short stacking energy: -206.105
Base-Backbone interact. energy: -1.649
local terms energy: -228.108846
where:
bonds (distance) C4'-P energy: -38.399
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -58.377
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -53.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -738.222560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.222560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.222560 (E_RNA)
where:
Base-Base interactions energy: -511.698
where: short stacking energy: -218.396
Base-Backbone interact. energy: -1.866
local terms energy: -224.659229
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -47.500
flat angles P-C4'-P energy: -36.121
tors. eta vs tors. theta energy: -67.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -224.409780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409780 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -62.734
Base-Backbone interact. energy: 0.407
local terms energy: -144.867950
where:
bonds (distance) C4'-P energy: -48.908
bonds (distance) P-C4' energy: -44.400
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: 10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -967.660890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.660890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.660890 (E_RNA)
where:
Base-Base interactions energy: -677.464
where: short stacking energy: -296.674
Base-Backbone interact. energy: -0.696
local terms energy: -289.500449
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -48.682
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -90.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -966.051772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.051772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.051772 (E_RNA)
where:
Base-Base interactions energy: -656.848
where: short stacking energy: -277.787
Base-Backbone interact. energy: -1.074
local terms energy: -308.129555
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -61.913
flat angles C4'-P-C4' energy: -60.546
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -87.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -924.803318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.803318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.803318 (E_RNA)
where:
Base-Base interactions energy: -652.304
where: short stacking energy: -280.354
Base-Backbone interact. energy: -2.283
local terms energy: -270.216548
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -86.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -869.377035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.377035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.377035 (E_RNA)
where:
Base-Base interactions energy: -590.938
where: short stacking energy: -259.177
Base-Backbone interact. energy: -0.580
local terms energy: -277.858594
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -50.803
flat angles C4'-P-C4' energy: -57.256
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -80.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -822.965437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.965437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.965437 (E_RNA)
where:
Base-Base interactions energy: -576.346
where: short stacking energy: -243.941
Base-Backbone interact. energy: -0.225
local terms energy: -246.393875
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -68.501
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: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -783.155970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.155970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.155970 (E_RNA)
where:
Base-Base interactions energy: -527.334
where: short stacking energy: -228.596
Base-Backbone interact. energy: -0.120
local terms energy: -255.702092
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -60.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -764.911303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.911303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.911303 (E_RNA)
where:
Base-Base interactions energy: -542.413
where: short stacking energy: -227.910
Base-Backbone interact. energy: -0.595
local terms energy: -221.903828
where:
bonds (distance) C4'-P energy: -41.091
bonds (distance) P-C4' energy: -43.991
flat angles C4'-P-C4' energy: -41.831
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -55.663
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -735.914076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.914076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.914076 (E_RNA)
where:
Base-Base interactions energy: -513.535
where: short stacking energy: -218.548
Base-Backbone interact. energy: 5.313
local terms energy: -227.692354
where:
bonds (distance) C4'-P energy: -49.867
bonds (distance) P-C4' energy: -44.181
flat angles C4'-P-C4' energy: -39.239
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -63.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -681.067948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.067948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.067948 (E_RNA)
where:
Base-Base interactions energy: -467.012
where: short stacking energy: -189.115
Base-Backbone interact. energy: -0.612
local terms energy: -213.444211
where:
bonds (distance) C4'-P energy: -46.819
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -48.634
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -53.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -223.669113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.669113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.669113 (E_RNA)
where:
Base-Base interactions energy: -68.214
where: short stacking energy: -67.560
Base-Backbone interact. energy: 1.812
local terms energy: -157.266921
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: 3.292
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: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -956.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.555834 (E_RNA)
where:
Base-Base interactions energy: -677.161
where: short stacking energy: -301.291
Base-Backbone interact. energy: 0.463
local terms energy: -279.857436
where:
bonds (distance) C4'-P energy: -53.386
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -56.995
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -89.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -942.094735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.094735 (E_RNA)
where:
Base-Base interactions energy: -652.853
where: short stacking energy: -270.677
Base-Backbone interact. energy: -1.586
local terms energy: -287.656402
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -38.768
tors. eta vs tors. theta energy: -83.072
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -942.147091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.147091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.147091 (E_RNA)
where:
Base-Base interactions energy: -656.061
where: short stacking energy: -284.439
Base-Backbone interact. energy: -1.164
local terms energy: -284.921866
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -54.707
flat angles P-C4'-P energy: -49.110
tors. eta vs tors. theta energy: -85.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -877.525701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.525701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.525701 (E_RNA)
where:
Base-Base interactions energy: -585.885
where: short stacking energy: -252.630
Base-Backbone interact. energy: -0.717
local terms energy: -290.923951
where:
bonds (distance) C4'-P energy: -53.405
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -48.387
tors. eta vs tors. theta energy: -89.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -817.031830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.031830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.031830 (E_RNA)
where:
Base-Base interactions energy: -565.820
where: short stacking energy: -250.520
Base-Backbone interact. energy: -1.218
local terms energy: -249.993935
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -46.037
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -75.736
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: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -762.203808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.203808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.203808 (E_RNA)
where:
Base-Base interactions energy: -518.667
where: short stacking energy: -214.323
Base-Backbone interact. energy: -1.030
local terms energy: -242.507192
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -48.812
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -57.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -775.971621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.971621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.971621 (E_RNA)
where:
Base-Base interactions energy: -530.757
where: short stacking energy: -223.752
Base-Backbone interact. energy: -1.280
local terms energy: -243.934453
where:
bonds (distance) C4'-P energy: -49.303
bonds (distance) P-C4' energy: -43.942
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -63.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -699.289011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.289011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.289011 (E_RNA)
where:
Base-Base interactions energy: -476.014
where: short stacking energy: -203.034
Base-Backbone interact. energy: -0.435
local terms energy: -222.840277
where:
bonds (distance) C4'-P energy: -45.909
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -51.873
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -52.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -697.607783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.607783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.607783 (E_RNA)
where:
Base-Base interactions energy: -483.696
where: short stacking energy: -220.270
Base-Backbone interact. energy: -0.044
local terms energy: -213.867642
where:
bonds (distance) C4'-P energy: -44.930
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -28.470
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -234.428709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.428709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.428709 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -66.996
Base-Backbone interact. energy: 3.718
local terms energy: -134.181297
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -30.822
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: 5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -947.929208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.929208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.929208 (E_RNA)
where:
Base-Base interactions energy: -650.688
where: short stacking energy: -294.028
Base-Backbone interact. energy: -0.695
local terms energy: -296.545737
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -57.489
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -86.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -942.323519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.323519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.323519 (E_RNA)
where:
Base-Base interactions energy: -661.842
where: short stacking energy: -282.847
Base-Backbone interact. energy: -0.351
local terms energy: -280.129992
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -62.487
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -85.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -936.920047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.920047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.920047 (E_RNA)
where:
Base-Base interactions energy: -644.841
where: short stacking energy: -286.065
Base-Backbone interact. energy: -0.349
local terms energy: -291.729978
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -85.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -839.596857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.596857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.596857 (E_RNA)
where:
Base-Base interactions energy: -565.308
where: short stacking energy: -241.744
Base-Backbone interact. energy: -1.078
local terms energy: -273.210714
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -62.942
flat angles C4'-P-C4' energy: -49.676
flat angles P-C4'-P energy: -47.815
tors. eta vs tors. theta energy: -70.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -844.215428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.215428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.215428 (E_RNA)
where:
Base-Base interactions energy: -580.605
where: short stacking energy: -245.556
Base-Backbone interact. energy: -0.164
local terms energy: -263.446436
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -824.288271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.288271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.288271 (E_RNA)
where:
Base-Base interactions energy: -568.255
where: short stacking energy: -248.171
Base-Backbone interact. energy: 0.586
local terms energy: -256.619200
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -52.854
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -72.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -756.174192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.174192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.174192 (E_RNA)
where:
Base-Base interactions energy: -531.660
where: short stacking energy: -197.528
Base-Backbone interact. energy: 1.063
local terms energy: -225.576916
where:
bonds (distance) C4'-P energy: -41.274
bonds (distance) P-C4' energy: -40.315
flat angles C4'-P-C4' energy: -46.746
flat angles P-C4'-P energy: -31.496
tors. eta vs tors. theta energy: -65.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -706.893430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.893430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.893430 (E_RNA)
where:
Base-Base interactions energy: -487.653
where: short stacking energy: -199.747
Base-Backbone interact. energy: 0.521
local terms energy: -219.761505
where:
bonds (distance) C4'-P energy: -39.564
bonds (distance) P-C4' energy: -43.221
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -32.971
tors. eta vs tors. theta energy: -49.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -705.011450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.011450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.011450 (E_RNA)
where:
Base-Base interactions energy: -491.726
where: short stacking energy: -205.980
Base-Backbone interact. energy: -1.403
local terms energy: -211.882172
where:
bonds (distance) C4'-P energy: -41.836
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -41.693
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -57.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -256.359971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.359971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.359971 (E_RNA)
where:
Base-Base interactions energy: -90.097
where: short stacking energy: -80.032
Base-Backbone interact. energy: 2.709
local terms energy: -168.971821
where:
bonds (distance) C4'-P energy: -42.124
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -35.214
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -16.929
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: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -969.400744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.400744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.400744 (E_RNA)
where:
Base-Base interactions energy: -674.160
where: short stacking energy: -276.147
Base-Backbone interact. energy: -1.180
local terms energy: -294.060761
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -52.780
flat angles C4'-P-C4' energy: -56.350
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -78.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -942.879571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.879571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.879571 (E_RNA)
where:
Base-Base interactions energy: -655.472
where: short stacking energy: -282.996
Base-Backbone interact. energy: -0.611
local terms energy: -286.795978
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -84.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -923.391602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.391602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.391602 (E_RNA)
where:
Base-Base interactions energy: -641.428
where: short stacking energy: -267.375
Base-Backbone interact. energy: 2.053
local terms energy: -284.016520
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -81.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -864.219805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.219805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.219805 (E_RNA)
where:
Base-Base interactions energy: -596.399
where: short stacking energy: -249.912
Base-Backbone interact. energy: -0.795
local terms energy: -267.025765
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -61.090
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -74.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -819.975141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.975141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.975141 (E_RNA)
where:
Base-Base interactions energy: -567.407
where: short stacking energy: -229.180
Base-Backbone interact. energy: 0.186
local terms energy: -252.754397
where:
bonds (distance) C4'-P energy: -44.940
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -53.865
flat angles P-C4'-P energy: -39.828
tors. eta vs tors. theta energy: -64.667
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: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -806.114072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.114072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.114072 (E_RNA)
where:
Base-Base interactions energy: -564.483
where: short stacking energy: -233.250
Base-Backbone interact. energy: -1.401
local terms energy: -240.230715
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -54.166
flat angles C4'-P-C4' energy: -50.318
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -68.433
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -758.475936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.475936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.475936 (E_RNA)
where:
Base-Base interactions energy: -534.950
where: short stacking energy: -228.505
Base-Backbone interact. energy: 0.417
local terms energy: -223.942438
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -45.458
flat angles C4'-P-C4' energy: -45.639
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -57.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -720.418827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.418827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.418827 (E_RNA)
where:
Base-Base interactions energy: -490.916
where: short stacking energy: -211.904
Base-Backbone interact. energy: -0.815
local terms energy: -228.687526
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -56.222
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: -52.010
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: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -711.626878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.626878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.626878 (E_RNA)
where:
Base-Base interactions energy: -468.101
where: short stacking energy: -195.623
Base-Backbone interact. energy: -0.147
local terms energy: -243.378652
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -57.752
flat angles C4'-P-C4' energy: -53.336
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -51.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -212.073127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.073127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.073127 (E_RNA)
where:
Base-Base interactions energy: -87.697
where: short stacking energy: -57.788
Base-Backbone interact. energy: -1.048
local terms energy: -123.328034
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: 7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -956.871135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.871135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.871135 (E_RNA)
where:
Base-Base interactions energy: -671.179
where: short stacking energy: -269.425
Base-Backbone interact. energy: -0.623
local terms energy: -285.068314
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -47.887
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -945.271268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.271268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.271268 (E_RNA)
where:
Base-Base interactions energy: -650.370
where: short stacking energy: -282.931
Base-Backbone interact. energy: 2.110
local terms energy: -297.011145
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -57.695
flat angles P-C4'-P energy: -48.886
tors. eta vs tors. theta energy: -83.355
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: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -919.170553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.170553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.170553 (E_RNA)
where:
Base-Base interactions energy: -624.629
where: short stacking energy: -283.476
Base-Backbone interact. energy: -0.152
local terms energy: -294.389412
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -52.614
flat angles C4'-P-C4' energy: -59.513
flat angles P-C4'-P energy: -41.874
tors. eta vs tors. theta energy: -86.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -880.484778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.484778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.484778 (E_RNA)
where:
Base-Base interactions energy: -600.965
where: short stacking energy: -265.495
Base-Backbone interact. energy: -0.687
local terms energy: -278.832427
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -58.383
flat angles C4'-P-C4' energy: -58.340
flat angles P-C4'-P energy: -32.179
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: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -809.686763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.686763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.686763 (E_RNA)
where:
Base-Base interactions energy: -563.370
where: short stacking energy: -245.560
Base-Backbone interact. energy: 1.456
local terms energy: -247.772252
where:
bonds (distance) C4'-P energy: -41.684
bonds (distance) P-C4' energy: -44.319
flat angles C4'-P-C4' energy: -53.159
flat angles P-C4'-P energy: -38.631
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -766.461565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.461565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.461565 (E_RNA)
where:
Base-Base interactions energy: -530.107
where: short stacking energy: -223.308
Base-Backbone interact. energy: -0.835
local terms energy: -235.520051
where:
bonds (distance) C4'-P energy: -38.477
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -35.538
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: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -771.190320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.190320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.190320 (E_RNA)
where:
Base-Base interactions energy: -542.499
where: short stacking energy: -234.767
Base-Backbone interact. energy: 4.007
local terms energy: -232.698503
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -69.117
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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -716.769583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.769583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.769583 (E_RNA)
where:
Base-Base interactions energy: -501.930
where: short stacking energy: -214.788
Base-Backbone interact. energy: -1.253
local terms energy: -213.586891
where:
bonds (distance) C4'-P energy: -44.265
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -46.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -697.594918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.594918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.594918 (E_RNA)
where:
Base-Base interactions energy: -480.937
where: short stacking energy: -197.347
Base-Backbone interact. energy: -1.371
local terms energy: -215.287415
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -41.361
flat angles C4'-P-C4' energy: -46.595
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -50.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -229.934775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.934775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.934775 (E_RNA)
where:
Base-Base interactions energy: -96.675
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.887
local terms energy: -132.372873
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -47.519
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: 8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -947.945193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.945193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.945193 (E_RNA)
where:
Base-Base interactions energy: -656.047
where: short stacking energy: -280.815
Base-Backbone interact. energy: 0.264
local terms energy: -292.161899
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -41.215
tors. eta vs tors. theta energy: -82.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -959.450600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.450600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.450600 (E_RNA)
where:
Base-Base interactions energy: -658.035
where: short stacking energy: -293.639
Base-Backbone interact. energy: -0.128
local terms energy: -301.287370
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -86.268
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -918.451639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.451639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.451639 (E_RNA)
where:
Base-Base interactions energy: -649.673
where: short stacking energy: -283.057
Base-Backbone interact. energy: -1.055
local terms energy: -267.723794
where:
bonds (distance) C4'-P energy: -39.672
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -88.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -869.464180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.464180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.464180 (E_RNA)
where:
Base-Base interactions energy: -604.252
where: short stacking energy: -264.800
Base-Backbone interact. energy: 0.060
local terms energy: -265.272426
where:
bonds (distance) C4'-P energy: -49.637
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -79.762
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: 52
Temperature: 1.100000
Total energy: -829.631034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.631034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.631034 (E_RNA)
where:
Base-Base interactions energy: -566.401
where: short stacking energy: -257.868
Base-Backbone interact. energy: -1.848
local terms energy: -261.382058
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -44.735
flat angles C4'-P-C4' energy: -53.791
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -75.687
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: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -762.996702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.996702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.996702 (E_RNA)
where:
Base-Base interactions energy: -526.881
where: short stacking energy: -217.022
Base-Backbone interact. energy: -1.543
local terms energy: -234.571818
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -64.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -756.190146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.190146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.190146 (E_RNA)
where:
Base-Base interactions energy: -533.019
where: short stacking energy: -235.283
Base-Backbone interact. energy: -0.865
local terms energy: -222.306003
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -41.527
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -62.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -772.502324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.502324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.502324 (E_RNA)
where:
Base-Base interactions energy: -547.555
where: short stacking energy: -221.883
Base-Backbone interact. energy: -0.571
local terms energy: -224.376342
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -43.671
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -58.514
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -744.516624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.516624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.516624 (E_RNA)
where:
Base-Base interactions energy: -520.776
where: short stacking energy: -199.256
Base-Backbone interact. energy: -1.766
local terms energy: -221.974110
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -43.779
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -49.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -222.681702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.681702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.681702 (E_RNA)
where:
Base-Base interactions energy: -75.375
where: short stacking energy: -53.014
Base-Backbone interact. energy: -1.120
local terms energy: -146.186924
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -21.600
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -948.411319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.411319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.411319 (E_RNA)
where:
Base-Base interactions energy: -648.313
where: short stacking energy: -286.625
Base-Backbone interact. energy: -1.290
local terms energy: -298.808916
where:
bonds (distance) C4'-P energy: -52.771
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -91.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -973.653981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.653981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.653981 (E_RNA)
where:
Base-Base interactions energy: -670.768
where: short stacking energy: -296.379
Base-Backbone interact. energy: -0.871
local terms energy: -302.014825
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -64.591
flat angles P-C4'-P energy: -47.360
tors. eta vs tors. theta energy: -85.163
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: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -940.956065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.956065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.956065 (E_RNA)
where:
Base-Base interactions energy: -648.536
where: short stacking energy: -282.599
Base-Backbone interact. energy: 0.227
local terms energy: -292.647882
where:
bonds (distance) C4'-P energy: -44.654
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -82.438
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: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -880.098299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.098299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.098299 (E_RNA)
where:
Base-Base interactions energy: -608.249
where: short stacking energy: -264.601
Base-Backbone interact. energy: -0.592
local terms energy: -271.257282
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -53.514
flat angles C4'-P-C4' energy: -52.888
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -77.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -796.985060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.985060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.985060 (E_RNA)
where:
Base-Base interactions energy: -543.941
where: short stacking energy: -234.874
Base-Backbone interact. energy: -0.335
local terms energy: -252.708142
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -62.064
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -757.524093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.524093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.524093 (E_RNA)
where:
Base-Base interactions energy: -513.361
where: short stacking energy: -215.841
Base-Backbone interact. energy: 0.387
local terms energy: -244.550238
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -54.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -786.544999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.544999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.544999 (E_RNA)
where:
Base-Base interactions energy: -569.932
where: short stacking energy: -236.515
Base-Backbone interact. energy: -0.327
local terms energy: -216.285855
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -63.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -764.701092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.701092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.701092 (E_RNA)
where:
Base-Base interactions energy: -516.041
where: short stacking energy: -213.540
Base-Backbone interact. energy: -1.391
local terms energy: -247.269094
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -53.842
flat angles P-C4'-P energy: -30.473
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: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -690.495638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.495638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.495638 (E_RNA)
where:
Base-Base interactions energy: -476.906
where: short stacking energy: -192.360
Base-Backbone interact. energy: -0.125
local terms energy: -213.464405
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -45.391
flat angles C4'-P-C4' energy: -54.091
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -45.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -234.278616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.278616 (E_RNA)
where:
Base-Base interactions energy: -61.733
where: short stacking energy: -55.076
Base-Backbone interact. energy: -1.303
local terms energy: -171.242774
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -45.360
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -939.273098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.273098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.273098 (E_RNA)
where:
Base-Base interactions energy: -643.313
where: short stacking energy: -289.991
Base-Backbone interact. energy: -1.201
local terms energy: -294.759620
where:
bonds (distance) C4'-P energy: -48.896
bonds (distance) P-C4' energy: -54.639
flat angles C4'-P-C4' energy: -66.550
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -83.944
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: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -970.325151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.325151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.325151 (E_RNA)
where:
Base-Base interactions energy: -666.325
where: short stacking energy: -291.300
Base-Backbone interact. energy: -0.744
local terms energy: -303.256240
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -58.031
flat angles C4'-P-C4' energy: -68.588
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -914.835445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.835445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.835445 (E_RNA)
where:
Base-Base interactions energy: -647.255
where: short stacking energy: -280.213
Base-Backbone interact. energy: -0.927
local terms energy: -266.652983
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -42.886
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -83.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -846.806130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.806130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.806130 (E_RNA)
where:
Base-Base interactions energy: -590.663
where: short stacking energy: -246.948
Base-Backbone interact. energy: -0.735
local terms energy: -255.408508
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -59.325
flat angles P-C4'-P energy: -42.936
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: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -791.588195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.588195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.588195 (E_RNA)
where:
Base-Base interactions energy: -550.970
where: short stacking energy: -241.329
Base-Backbone interact. energy: -0.644
local terms energy: -239.973780
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -67.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -802.000757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.000757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.000757 (E_RNA)
where:
Base-Base interactions energy: -555.893
where: short stacking energy: -231.809
Base-Backbone interact. energy: -0.309
local terms energy: -245.799375
where:
bonds (distance) C4'-P energy: -41.663
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -62.955
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: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -764.698070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.698070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.698070 (E_RNA)
where:
Base-Base interactions energy: -535.866
where: short stacking energy: -229.958
Base-Backbone interact. energy: -0.091
local terms energy: -228.740974
where:
bonds (distance) C4'-P energy: -43.071
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -42.688
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -57.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -740.922713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.922713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.922713 (E_RNA)
where:
Base-Base interactions energy: -540.461
where: short stacking energy: -224.123
Base-Backbone interact. energy: 6.580
local terms energy: -207.041790
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -59.136
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -708.735800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.735800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.735800 (E_RNA)
where:
Base-Base interactions energy: -499.785
where: short stacking energy: -218.462
Base-Backbone interact. energy: 0.293
local terms energy: -209.242973
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -47.194
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -50.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -250.945374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.945374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.945374 (E_RNA)
where:
Base-Base interactions energy: -90.651
where: short stacking energy: -66.964
Base-Backbone interact. energy: 0.053
local terms energy: -160.347865
where:
bonds (distance) C4'-P energy: -50.168
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -961.527885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.527885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.527885 (E_RNA)
where:
Base-Base interactions energy: -655.667
where: short stacking energy: -288.271
Base-Backbone interact. energy: -1.990
local terms energy: -303.870087
where:
bonds (distance) C4'-P energy: -59.492
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -59.515
flat angles P-C4'-P energy: -43.289
tors. eta vs tors. theta energy: -89.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -952.070673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.070673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.070673 (E_RNA)
where:
Base-Base interactions energy: -663.896
where: short stacking energy: -293.874
Base-Backbone interact. energy: 0.552
local terms energy: -288.726973
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -41.565
tors. eta vs tors. theta energy: -87.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -929.694106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.694106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.694106 (E_RNA)
where:
Base-Base interactions energy: -646.904
where: short stacking energy: -282.350
Base-Backbone interact. energy: -0.902
local terms energy: -281.888846
where:
bonds (distance) C4'-P energy: -45.186
bonds (distance) P-C4' energy: -54.970
flat angles C4'-P-C4' energy: -57.362
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -90.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -853.078964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.078964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.078964 (E_RNA)
where:
Base-Base interactions energy: -607.736
where: short stacking energy: -261.327
Base-Backbone interact. energy: -0.725
local terms energy: -244.618551
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -34.938
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: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -807.956186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.956186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.956186 (E_RNA)
where:
Base-Base interactions energy: -535.849
where: short stacking energy: -237.790
Base-Backbone interact. energy: -0.492
local terms energy: -271.615696
where:
bonds (distance) C4'-P energy: -45.982
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -68.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -804.879681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.879681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.879681 (E_RNA)
where:
Base-Base interactions energy: -555.381
where: short stacking energy: -241.080
Base-Backbone interact. energy: 0.784
local terms energy: -250.282661
where:
bonds (distance) C4'-P energy: -44.385
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -48.015
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -66.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -742.096123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.096123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.096123 (E_RNA)
where:
Base-Base interactions energy: -514.199
where: short stacking energy: -206.720
Base-Backbone interact. energy: -0.986
local terms energy: -226.911080
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -42.980
flat angles P-C4'-P energy: -37.987
tors. eta vs tors. theta energy: -46.735
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: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -716.611342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.611342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.611342 (E_RNA)
where:
Base-Base interactions energy: -482.447
where: short stacking energy: -206.650
Base-Backbone interact. energy: -1.725
local terms energy: -232.440193
where:
bonds (distance) C4'-P energy: -45.189
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -52.615
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -60.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -677.916230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.916230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.916230 (E_RNA)
where:
Base-Base interactions energy: -464.836
where: short stacking energy: -175.046
Base-Backbone interact. energy: -0.495
local terms energy: -212.585876
where:
bonds (distance) C4'-P energy: -40.363
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -48.537
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -255.070985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.070985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.070985 (E_RNA)
where:
Base-Base interactions energy: -104.245
where: short stacking energy: -68.816
Base-Backbone interact. energy: 0.017
local terms energy: -150.843512
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -44.310
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -961.126182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.126182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.126182 (E_RNA)
where:
Base-Base interactions energy: -677.890
where: short stacking energy: -301.156
Base-Backbone interact. energy: -0.555
local terms energy: -282.681654
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -52.584
flat angles C4'-P-C4' energy: -57.618
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -82.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -954.709092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.709092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.709092 (E_RNA)
where:
Base-Base interactions energy: -664.448
where: short stacking energy: -301.167
Base-Backbone interact. energy: -0.351
local terms energy: -289.910090
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -89.070
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: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -910.331125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.331125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.331125 (E_RNA)
where:
Base-Base interactions energy: -635.397
where: short stacking energy: -264.508
Base-Backbone interact. energy: 0.507
local terms energy: -275.440838
where:
bonds (distance) C4'-P energy: -46.606
bonds (distance) P-C4' energy: -48.275
flat angles C4'-P-C4' energy: -59.019
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -78.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -843.363935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.363935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.363935 (E_RNA)
where:
Base-Base interactions energy: -582.835
where: short stacking energy: -248.910
Base-Backbone interact. energy: -0.669
local terms energy: -259.859884
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -65.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -828.209805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.209805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.209805 (E_RNA)
where:
Base-Base interactions energy: -564.725
where: short stacking energy: -255.835
Base-Backbone interact. energy: -1.153
local terms energy: -262.331754
where:
bonds (distance) C4'-P energy: -54.711
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -73.369
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: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -781.203033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.203033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.203033 (E_RNA)
where:
Base-Base interactions energy: -536.817
where: short stacking energy: -233.833
Base-Backbone interact. energy: 0.724
local terms energy: -245.109620
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -53.028
flat angles C4'-P-C4' energy: -49.825
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -60.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -786.237647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.237647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.237647 (E_RNA)
where:
Base-Base interactions energy: -561.999
where: short stacking energy: -226.878
Base-Backbone interact. energy: -0.527
local terms energy: -223.711529
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -51.981
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -65.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -723.826879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.826879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.826879 (E_RNA)
where:
Base-Base interactions energy: -506.950
where: short stacking energy: -213.515
Base-Backbone interact. energy: -0.334
local terms energy: -216.542567
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -45.597
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -59.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -711.133073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.133073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.133073 (E_RNA)
where:
Base-Base interactions energy: -490.412
where: short stacking energy: -216.121
Base-Backbone interact. energy: -0.231
local terms energy: -220.490253
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -49.112
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -55.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -231.065308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.065308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.065308 (E_RNA)
where:
Base-Base interactions energy: -86.809
where: short stacking energy: -76.707
Base-Backbone interact. energy: 5.139
local terms energy: -149.395020
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -55.147
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -970.487011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.487011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.487011 (E_RNA)
where:
Base-Base interactions energy: -674.953
where: short stacking energy: -293.974
Base-Backbone interact. energy: -0.824
local terms energy: -294.710217
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -55.805
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -89.714
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -931.570734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.570734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.570734 (E_RNA)
where:
Base-Base interactions energy: -648.715
where: short stacking energy: -287.413
Base-Backbone interact. energy: -0.894
local terms energy: -281.962451
where:
bonds (distance) C4'-P energy: -41.794
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -80.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -930.860436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.860436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.860436 (E_RNA)
where:
Base-Base interactions energy: -642.117
where: short stacking energy: -269.660
Base-Backbone interact. energy: -0.220
local terms energy: -288.523606
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -64.633
flat angles P-C4'-P energy: -42.039
tors. eta vs tors. theta energy: -79.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -870.574842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.574842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.574842 (E_RNA)
where:
Base-Base interactions energy: -596.506
where: short stacking energy: -262.942
Base-Backbone interact. energy: -1.801
local terms energy: -272.267504
where:
bonds (distance) C4'-P energy: -44.259
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -42.189
tors. eta vs tors. theta energy: -81.104
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: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -832.701316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.701316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.701316 (E_RNA)
where:
Base-Base interactions energy: -577.130
where: short stacking energy: -251.200
Base-Backbone interact. energy: -1.075
local terms energy: -254.496240
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -71.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -768.562737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.562737 (E_RNA)
where:
Base-Base interactions energy: -516.396
where: short stacking energy: -233.898
Base-Backbone interact. energy: -0.122
local terms energy: -252.045283
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -50.986
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -66.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -749.837800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.837800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.837800 (E_RNA)
where:
Base-Base interactions energy: -504.063
where: short stacking energy: -231.118
Base-Backbone interact. energy: 0.413
local terms energy: -246.187693
where:
bonds (distance) C4'-P energy: -52.235
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -56.077
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -66.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -745.416581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.416581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.416581 (E_RNA)
where:
Base-Base interactions energy: -515.322
where: short stacking energy: -216.514
Base-Backbone interact. energy: -0.078
local terms energy: -230.016794
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -43.216
flat angles C4'-P-C4' energy: -48.394
flat angles P-C4'-P energy: -38.114
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -666.501447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.501447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.501447 (E_RNA)
where:
Base-Base interactions energy: -451.552
where: short stacking energy: -173.769
Base-Backbone interact. energy: -0.574
local terms energy: -214.375105
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -43.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -257.270201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.270201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.270201 (E_RNA)
where:
Base-Base interactions energy: -103.582
where: short stacking energy: -66.441
Base-Backbone interact. energy: 1.019
local terms energy: -154.707055
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -42.458
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: 3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -941.987063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.987063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.987063 (E_RNA)
where:
Base-Base interactions energy: -653.706
where: short stacking energy: -287.974
Base-Backbone interact. energy: -0.553
local terms energy: -287.728063
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -58.032
flat angles P-C4'-P energy: -43.477
tors. eta vs tors. theta energy: -86.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -930.611075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.611075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.611075 (E_RNA)
where:
Base-Base interactions energy: -632.803
where: short stacking energy: -271.540
Base-Backbone interact. energy: -2.362
local terms energy: -295.446539
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -55.634
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: -82.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -918.406518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.406518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.406518 (E_RNA)
where:
Base-Base interactions energy: -645.703
where: short stacking energy: -280.297
Base-Backbone interact. energy: 1.293
local terms energy: -273.996310
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -51.379
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -85.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -848.341809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.341809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.341809 (E_RNA)
where:
Base-Base interactions energy: -575.816
where: short stacking energy: -251.326
Base-Backbone interact. energy: -2.449
local terms energy: -270.076642
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -51.503
flat angles C4'-P-C4' energy: -51.410
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -73.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -800.933384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.933384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.933384 (E_RNA)
where:
Base-Base interactions energy: -567.216
where: short stacking energy: -239.530
Base-Backbone interact. energy: -0.398
local terms energy: -233.319482
where:
bonds (distance) C4'-P energy: -47.941
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -61.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -837.834395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.834395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.834395 (E_RNA)
where:
Base-Base interactions energy: -573.166
where: short stacking energy: -252.392
Base-Backbone interact. energy: -1.602
local terms energy: -263.066705
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -55.602
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -74.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -733.394223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.394223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.394223 (E_RNA)
where:
Base-Base interactions energy: -498.653
where: short stacking energy: -196.963
Base-Backbone interact. energy: -0.942
local terms energy: -233.799770
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -52.111
flat angles P-C4'-P energy: -33.288
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -739.050544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.050544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.050544 (E_RNA)
where:
Base-Base interactions energy: -506.846
where: short stacking energy: -214.167
Base-Backbone interact. energy: 1.465
local terms energy: -233.669847
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -55.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -654.517698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.517698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.517698 (E_RNA)
where:
Base-Base interactions energy: -456.365
where: short stacking energy: -178.801
Base-Backbone interact. energy: 0.744
local terms energy: -198.896060
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -48.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -224.966066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.966066 (E_RNA)
where:
Base-Base interactions energy: -66.851
where: short stacking energy: -59.884
Base-Backbone interact. energy: 5.463
local terms energy: -163.577706
where:
bonds (distance) C4'-P energy: -40.444
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -46.129
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -967.471710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.471710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.471710 (E_RNA)
where:
Base-Base interactions energy: -672.877
where: short stacking energy: -289.453
Base-Backbone interact. energy: -0.364
local terms energy: -294.229872
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -52.155
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -84.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -937.497971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.497971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.497971 (E_RNA)
where:
Base-Base interactions energy: -662.603
where: short stacking energy: -293.506
Base-Backbone interact. energy: -0.880
local terms energy: -274.014674
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -45.669
flat angles C4'-P-C4' energy: -58.003
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -917.712762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.712762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.712762 (E_RNA)
where:
Base-Base interactions energy: -635.695
where: short stacking energy: -270.820
Base-Backbone interact. energy: -2.071
local terms energy: -279.947064
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -53.677
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: -83.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -907.552766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.552766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.552766 (E_RNA)
where:
Base-Base interactions energy: -631.251
where: short stacking energy: -271.933
Base-Backbone interact. energy: -1.471
local terms energy: -274.830752
where:
bonds (distance) C4'-P energy: -44.107
bonds (distance) P-C4' energy: -44.796
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -38.328
tors. eta vs tors. theta energy: -87.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -842.793253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.793253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.793253 (E_RNA)
where:
Base-Base interactions energy: -587.814
where: short stacking energy: -263.746
Base-Backbone interact. energy: 0.716
local terms energy: -255.695472
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -70.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -786.329593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.329593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.329593 (E_RNA)
where:
Base-Base interactions energy: -552.641
where: short stacking energy: -234.183
Base-Backbone interact. energy: 4.020
local terms energy: -237.708688
where:
bonds (distance) C4'-P energy: -48.859
bonds (distance) P-C4' energy: -44.270
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -34.389
tors. eta vs tors. theta energy: -56.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -753.417923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.417923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.417923 (E_RNA)
where:
Base-Base interactions energy: -514.149
where: short stacking energy: -208.280
Base-Backbone interact. energy: 0.063
local terms energy: -239.332082
where:
bonds (distance) C4'-P energy: -44.106
bonds (distance) P-C4' energy: -49.122
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -55.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -698.665174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.665174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.665174 (E_RNA)
where:
Base-Base interactions energy: -475.649
where: short stacking energy: -189.049
Base-Backbone interact. energy: -1.172
local terms energy: -221.844315
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -39.590
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -31.186
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -535.600223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.600223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.600223 (E_RNA)
where:
Base-Base interactions energy: -369.460
where: short stacking energy: -178.578
Base-Backbone interact. energy: -0.704
local terms energy: -165.436607
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -36.611
flat angles C4'-P-C4' energy: -40.774
flat angles P-C4'-P energy: -16.040
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -227.590232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.590232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.590232 (E_RNA)
where:
Base-Base interactions energy: -90.351
where: short stacking energy: -72.049
Base-Backbone interact. energy: 4.236
local terms energy: -141.475091
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -949.045851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.045851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.045851 (E_RNA)
where:
Base-Base interactions energy: -659.777
where: short stacking energy: -289.676
Base-Backbone interact. energy: -2.098
local terms energy: -287.170732
where:
bonds (distance) C4'-P energy: -54.028
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -38.221
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -942.707464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.707464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.707464 (E_RNA)
where:
Base-Base interactions energy: -658.392
where: short stacking energy: -277.360
Base-Backbone interact. energy: -0.736
local terms energy: -283.579044
where:
bonds (distance) C4'-P energy: -57.976
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -52.813
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -84.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -930.933393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.933393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.933393 (E_RNA)
where:
Base-Base interactions energy: -640.946
where: short stacking energy: -277.939
Base-Backbone interact. energy: 2.060
local terms energy: -292.047269
where:
bonds (distance) C4'-P energy: -50.693
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -90.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -869.491474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.491474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.491474 (E_RNA)
where:
Base-Base interactions energy: -611.139
where: short stacking energy: -263.957
Base-Backbone interact. energy: -1.816
local terms energy: -256.536321
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -55.256
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -76.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -807.626324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.626324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.626324 (E_RNA)
where:
Base-Base interactions energy: -559.531
where: short stacking energy: -236.585
Base-Backbone interact. energy: 0.599
local terms energy: -248.694496
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -57.589
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -71.891
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: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -805.994405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.994405 (E_RNA)
where:
Base-Base interactions energy: -553.247
where: short stacking energy: -227.046
Base-Backbone interact. energy: -1.266
local terms energy: -251.481819
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -47.634
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -68.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -776.163322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.163322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.163322 (E_RNA)
where:
Base-Base interactions energy: -536.512
where: short stacking energy: -221.319
Base-Backbone interact. energy: -0.869
local terms energy: -238.782224
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -39.759
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -39.290
tors. eta vs tors. theta energy: -56.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -716.159004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.159004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.159004 (E_RNA)
where:
Base-Base interactions energy: -483.207
where: short stacking energy: -203.041
Base-Backbone interact. energy: -0.117
local terms energy: -232.834720
where:
bonds (distance) C4'-P energy: -42.873
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -58.004
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -55.167
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: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -541.012486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.012486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.012486 (E_RNA)
where:
Base-Base interactions energy: -353.837
where: short stacking energy: -165.777
Base-Backbone interact. energy: -0.810
local terms energy: -186.365000
where:
bonds (distance) C4'-P energy: -34.775
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -44.205
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -32.525
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: 60
Temperature: 1.350000
Total energy: -229.775461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.775461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.775461 (E_RNA)
where:
Base-Base interactions energy: -72.705
where: short stacking energy: -64.182
Base-Backbone interact. energy: 2.724
local terms energy: -159.794243
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -944.226573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.226573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.226573 (E_RNA)
where:
Base-Base interactions energy: -659.625
where: short stacking energy: -287.705
Base-Backbone interact. energy: -0.257
local terms energy: -284.344857
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -60.059
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -84.474
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: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -936.895665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.895665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.895665 (E_RNA)
where:
Base-Base interactions energy: -651.434
where: short stacking energy: -278.963
Base-Backbone interact. energy: 0.444
local terms energy: -285.906115
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -81.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -939.424316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.424316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.424316 (E_RNA)
where:
Base-Base interactions energy: -663.281
where: short stacking energy: -278.613
Base-Backbone interact. energy: -1.266
local terms energy: -274.877213
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -46.588
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -82.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -880.834465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.834465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.834465 (E_RNA)
where:
Base-Base interactions energy: -610.413
where: short stacking energy: -259.403
Base-Backbone interact. energy: -0.514
local terms energy: -269.907135
where:
bonds (distance) C4'-P energy: -46.163
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -54.292
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: -78.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -824.513927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.513927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.513927 (E_RNA)
where:
Base-Base interactions energy: -567.768
where: short stacking energy: -254.065
Base-Backbone interact. energy: -0.545
local terms energy: -256.200581
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -33.989
tors. eta vs tors. theta energy: -68.674
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -826.437057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.437057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.437057 (E_RNA)
where:
Base-Base interactions energy: -583.922
where: short stacking energy: -247.014
Base-Backbone interact. energy: 2.158
local terms energy: -244.672456
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -47.833
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -74.273
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: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -751.848655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.848655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.848655 (E_RNA)
where:
Base-Base interactions energy: -517.892
where: short stacking energy: -224.179
Base-Backbone interact. energy: -0.966
local terms energy: -232.991440
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -50.849
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -61.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -710.029957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.029957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.029957 (E_RNA)
where:
Base-Base interactions energy: -484.471
where: short stacking energy: -205.101
Base-Backbone interact. energy: 2.200
local terms energy: -227.759122
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -50.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -569.338244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.338244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.338244 (E_RNA)
where:
Base-Base interactions energy: -362.213
where: short stacking energy: -161.915
Base-Backbone interact. energy: -0.922
local terms energy: -206.203498
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -210.967195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.967195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.967195 (E_RNA)
where:
Base-Base interactions energy: -97.077
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.259
local terms energy: -113.631603
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -44.435
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: 14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -961.215737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.215737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.215737 (E_RNA)
where:
Base-Base interactions energy: -659.027
where: short stacking energy: -289.719
Base-Backbone interact. energy: -1.652
local terms energy: -300.536609
where:
bonds (distance) C4'-P energy: -50.271
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -65.918
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -87.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -924.390991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.390991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.390991 (E_RNA)
where:
Base-Base interactions energy: -638.658
where: short stacking energy: -268.470
Base-Backbone interact. energy: -1.516
local terms energy: -284.216415
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -60.188
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -77.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -926.501642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.501642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.501642 (E_RNA)
where:
Base-Base interactions energy: -634.188
where: short stacking energy: -263.496
Base-Backbone interact. energy: 1.602
local terms energy: -293.915732
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: -83.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -875.310411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.310411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.310411 (E_RNA)
where:
Base-Base interactions energy: -608.950
where: short stacking energy: -256.743
Base-Backbone interact. energy: -1.070
local terms energy: -265.290715
where:
bonds (distance) C4'-P energy: -40.536
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -43.507
tors. eta vs tors. theta energy: -73.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -840.355847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.355847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.355847 (E_RNA)
where:
Base-Base interactions energy: -577.374
where: short stacking energy: -251.112
Base-Backbone interact. energy: -1.203
local terms energy: -261.779442
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -53.621
flat angles C4'-P-C4' energy: -51.125
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -69.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -813.547274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.547274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.547274 (E_RNA)
where:
Base-Base interactions energy: -558.542
where: short stacking energy: -235.144
Base-Backbone interact. energy: -0.515
local terms energy: -254.490135
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -50.597
flat angles C4'-P-C4' energy: -52.845
flat angles P-C4'-P energy: -31.947
tors. eta vs tors. theta energy: -70.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -757.574551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.574551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.574551 (E_RNA)
where:
Base-Base interactions energy: -502.044
where: short stacking energy: -209.878
Base-Backbone interact. energy: -0.849
local terms energy: -254.681235
where:
bonds (distance) C4'-P energy: -48.656
bonds (distance) P-C4' energy: -58.518
flat angles C4'-P-C4' energy: -46.948
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -62.437
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -704.740133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.740133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.740133 (E_RNA)
where:
Base-Base interactions energy: -480.841
where: short stacking energy: -194.336
Base-Backbone interact. energy: -1.543
local terms energy: -222.356489
where:
bonds (distance) C4'-P energy: -53.726
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -40.615
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -53.320
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -568.108375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.108375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.108375 (E_RNA)
where:
Base-Base interactions energy: -367.214
where: short stacking energy: -164.439
Base-Backbone interact. energy: 0.136
local terms energy: -201.030203
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -44.210
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -40.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -265.804453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.804453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.804453 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -80.930
Base-Backbone interact. energy: -1.690
local terms energy: -123.416179
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: 11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -965.869874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.869874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.869874 (E_RNA)
where:
Base-Base interactions energy: -681.469
where: short stacking energy: -298.384
Base-Backbone interact. energy: 0.406
local terms energy: -284.806476
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -54.471
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -85.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -947.186908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.186908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.186908 (E_RNA)
where:
Base-Base interactions energy: -653.982
where: short stacking energy: -279.944
Base-Backbone interact. energy: -1.381
local terms energy: -291.824246
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -44.203
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -87.044
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: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -950.005998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.005998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.005998 (E_RNA)
where:
Base-Base interactions energy: -667.934
where: short stacking energy: -290.561
Base-Backbone interact. energy: -0.419
local terms energy: -281.652982
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -47.259
flat angles C4'-P-C4' energy: -56.306
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -85.945
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: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -841.066322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.066322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.066322 (E_RNA)
where:
Base-Base interactions energy: -584.346
where: short stacking energy: -232.984
Base-Backbone interact. energy: -0.548
local terms energy: -256.172345
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -46.267
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -67.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -861.541076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.541076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.541076 (E_RNA)
where:
Base-Base interactions energy: -591.118
where: short stacking energy: -252.540
Base-Backbone interact. energy: 0.594
local terms energy: -271.016937
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -72.132
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: 63
Temperature: 1.150000
Total energy: -825.738226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.738226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.738226 (E_RNA)
where:
Base-Base interactions energy: -581.389
where: short stacking energy: -244.621
Base-Backbone interact. energy: 0.543
local terms energy: -244.892956
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: -65.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -730.061670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.061670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.061670 (E_RNA)
where:
Base-Base interactions energy: -498.851
where: short stacking energy: -216.443
Base-Backbone interact. energy: -0.502
local terms energy: -230.708264
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: -61.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -735.183542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.183542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.183542 (E_RNA)
where:
Base-Base interactions energy: -511.666
where: short stacking energy: -202.886
Base-Backbone interact. energy: -0.177
local terms energy: -223.340416
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -54.885
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -51.800
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -580.164855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.164855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.164855 (E_RNA)
where:
Base-Base interactions energy: -388.020
where: short stacking energy: -181.749
Base-Backbone interact. energy: -0.884
local terms energy: -191.261167
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -47.801
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -42.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -219.587294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587294 (E_RNA)
where:
Base-Base interactions energy: -70.136
where: short stacking energy: -56.519
Base-Backbone interact. energy: 1.230
local terms energy: -150.680824
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -42.994
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -977.453753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.453753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.453753 (E_RNA)
where:
Base-Base interactions energy: -674.902
where: short stacking energy: -297.160
Base-Backbone interact. energy: -1.613
local terms energy: -300.939000
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -90.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -936.956688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.956688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.956688 (E_RNA)
where:
Base-Base interactions energy: -650.054
where: short stacking energy: -290.325
Base-Backbone interact. energy: -1.481
local terms energy: -285.421421
where:
bonds (distance) C4'-P energy: -45.995
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -60.577
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -87.013
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -927.840408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.840408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.840408 (E_RNA)
where:
Base-Base interactions energy: -638.747
where: short stacking energy: -276.626
Base-Backbone interact. energy: 1.422
local terms energy: -290.515817
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -57.852
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -84.644
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -838.080516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.080516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.080516 (E_RNA)
where:
Base-Base interactions energy: -547.145
where: short stacking energy: -232.639
Base-Backbone interact. energy: -2.167
local terms energy: -288.768783
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -69.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -834.784224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.784224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.784224 (E_RNA)
where:
Base-Base interactions energy: -584.007
where: short stacking energy: -242.116
Base-Backbone interact. energy: 1.582
local terms energy: -252.358922
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -32.040
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: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -813.015873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.015873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.015873 (E_RNA)
where:
Base-Base interactions energy: -556.661
where: short stacking energy: -234.469
Base-Backbone interact. energy: -0.943
local terms energy: -255.411932
where:
bonds (distance) C4'-P energy: -53.319
bonds (distance) P-C4' energy: -53.800
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -34.612
tors. eta vs tors. theta energy: -67.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -750.845753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.845753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.845753 (E_RNA)
where:
Base-Base interactions energy: -503.347
where: short stacking energy: -212.535
Base-Backbone interact. energy: -0.105
local terms energy: -247.393125
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -47.385
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -59.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -694.812388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.812388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.812388 (E_RNA)
where:
Base-Base interactions energy: -471.042
where: short stacking energy: -201.679
Base-Backbone interact. energy: -0.265
local terms energy: -223.505099
where:
bonds (distance) C4'-P energy: -45.148
bonds (distance) P-C4' energy: -46.172
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -57.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -568.522803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.522803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.522803 (E_RNA)
where:
Base-Base interactions energy: -369.437
where: short stacking energy: -152.231
Base-Backbone interact. energy: 1.603
local terms energy: -200.688631
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -45.178
flat angles C4'-P-C4' energy: -48.560
flat angles P-C4'-P energy: -35.810
tors. eta vs tors. theta energy: -37.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -217.270532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.270532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.270532 (E_RNA)
where:
Base-Base interactions energy: -73.950
where: short stacking energy: -69.316
Base-Backbone interact. energy: 0.724
local terms energy: -144.044594
where:
bonds (distance) C4'-P energy: -42.968
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -45.095
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -953.537740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.537740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.537740 (E_RNA)
where:
Base-Base interactions energy: -659.177
where: short stacking energy: -291.739
Base-Backbone interact. energy: -1.170
local terms energy: -293.190243
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -58.933
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -89.391
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: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -956.722574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.722574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.722574 (E_RNA)
where:
Base-Base interactions energy: -681.276
where: short stacking energy: -279.224
Base-Backbone interact. energy: 2.199
local terms energy: -277.645164
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -58.836
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: -81.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -923.496003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.496003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.496003 (E_RNA)
where:
Base-Base interactions energy: -633.772
where: short stacking energy: -270.181
Base-Backbone interact. energy: -1.870
local terms energy: -287.853874
where:
bonds (distance) C4'-P energy: -42.631
bonds (distance) P-C4' energy: -50.021
flat angles C4'-P-C4' energy: -63.091
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -86.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -856.092380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.092380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.092380 (E_RNA)
where:
Base-Base interactions energy: -602.468
where: short stacking energy: -262.208
Base-Backbone interact. energy: -0.223
local terms energy: -253.400983
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -57.870
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -74.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -856.395841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.395841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.395841 (E_RNA)
where:
Base-Base interactions energy: -593.037
where: short stacking energy: -253.930
Base-Backbone interact. energy: -0.388
local terms energy: -262.971192
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -77.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -782.958055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.958055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.958055 (E_RNA)
where:
Base-Base interactions energy: -541.771
where: short stacking energy: -239.411
Base-Backbone interact. energy: -0.663
local terms energy: -240.523842
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -46.297
flat angles C4'-P-C4' energy: -49.421
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -66.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -762.935236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.935236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.935236 (E_RNA)
where:
Base-Base interactions energy: -532.420
where: short stacking energy: -215.787
Base-Backbone interact. energy: 4.574
local terms energy: -235.089433
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -54.074
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -63.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -715.898629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.898629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.898629 (E_RNA)
where:
Base-Base interactions energy: -510.622
where: short stacking energy: -196.530
Base-Backbone interact. energy: -1.100
local terms energy: -204.176966
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -44.785
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -56.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -516.204355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.204355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.204355 (E_RNA)
where:
Base-Base interactions energy: -335.302
where: short stacking energy: -140.115
Base-Backbone interact. energy: 0.514
local terms energy: -181.416774
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -44.068
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -34.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -247.534792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.534792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.534792 (E_RNA)
where:
Base-Base interactions energy: -99.673
where: short stacking energy: -66.905
Base-Backbone interact. energy: -2.286
local terms energy: -145.575273
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -48.896
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: 7.921
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: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -960.166435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.166435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.166435 (E_RNA)
where:
Base-Base interactions energy: -669.352
where: short stacking energy: -287.489
Base-Backbone interact. energy: -2.644
local terms energy: -288.170839
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -44.798
tors. eta vs tors. theta energy: -79.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -952.271334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.271334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.271334 (E_RNA)
where:
Base-Base interactions energy: -661.954
where: short stacking energy: -284.772
Base-Backbone interact. energy: -0.344
local terms energy: -289.973698
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -59.510
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -86.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -939.189026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.189026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.189026 (E_RNA)
where:
Base-Base interactions energy: -646.136
where: short stacking energy: -264.037
Base-Backbone interact. energy: -1.753
local terms energy: -291.299397
where:
bonds (distance) C4'-P energy: -48.434
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -62.576
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -82.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -864.526947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.526947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.526947 (E_RNA)
where:
Base-Base interactions energy: -600.087
where: short stacking energy: -247.858
Base-Backbone interact. energy: -0.756
local terms energy: -263.683415
where:
bonds (distance) C4'-P energy: -40.415
bonds (distance) P-C4' energy: -58.918
flat angles C4'-P-C4' energy: -55.178
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -70.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -802.887844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.887844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.887844 (E_RNA)
where:
Base-Base interactions energy: -550.989
where: short stacking energy: -236.128
Base-Backbone interact. energy: -1.505
local terms energy: -250.393470
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -53.300
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -32.036
tors. eta vs tors. theta energy: -68.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -803.867250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.867250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.867250 (E_RNA)
where:
Base-Base interactions energy: -564.414
where: short stacking energy: -241.984
Base-Backbone interact. energy: -0.466
local terms energy: -238.987103
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -65.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -769.165686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.165686 (E_RNA)
where:
Base-Base interactions energy: -541.060
where: short stacking energy: -222.919
Base-Backbone interact. energy: -0.884
local terms energy: -227.222169
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -34.440
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: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -752.398304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.398304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.398304 (E_RNA)
where:
Base-Base interactions energy: -493.923
where: short stacking energy: -208.713
Base-Backbone interact. energy: 0.425
local terms energy: -258.900899
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -38.602
tors. eta vs tors. theta energy: -63.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -506.704870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.704870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.704870 (E_RNA)
where:
Base-Base interactions energy: -340.802
where: short stacking energy: -145.379
Base-Backbone interact. energy: -1.157
local terms energy: -164.746515
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -41.744
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -224.526529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.526529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.526529 (E_RNA)
where:
Base-Base interactions energy: -79.467
where: short stacking energy: -73.222
Base-Backbone interact. energy: -1.960
local terms energy: -143.099687
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: 8.206
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: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -954.043349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.043349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.043349 (E_RNA)
where:
Base-Base interactions energy: -670.409
where: short stacking energy: -272.134
Base-Backbone interact. energy: -1.450
local terms energy: -282.184568
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -57.485
flat angles C4'-P-C4' energy: -51.224
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -75.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -970.052365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.052365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.052365 (E_RNA)
where:
Base-Base interactions energy: -674.587
where: short stacking energy: -296.797
Base-Backbone interact. energy: -0.717
local terms energy: -294.747811
where:
bonds (distance) C4'-P energy: -59.326
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -60.410
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -86.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -914.115863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.115863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.115863 (E_RNA)
where:
Base-Base interactions energy: -628.313
where: short stacking energy: -272.418
Base-Backbone interact. energy: -0.605
local terms energy: -285.197819
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -79.985
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: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -850.998737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.998737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.998737 (E_RNA)
where:
Base-Base interactions energy: -598.335
where: short stacking energy: -244.280
Base-Backbone interact. energy: -0.599
local terms energy: -252.064687
where:
bonds (distance) C4'-P energy: -45.189
bonds (distance) P-C4' energy: -50.424
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -62.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -835.741781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.741781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.741781 (E_RNA)
where:
Base-Base interactions energy: -576.449
where: short stacking energy: -243.701
Base-Backbone interact. energy: 1.271
local terms energy: -260.563544
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -67.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -792.636415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.636415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.636415 (E_RNA)
where:
Base-Base interactions energy: -540.598
where: short stacking energy: -230.878
Base-Backbone interact. energy: -1.330
local terms energy: -250.707566
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -42.951
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -66.420
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -797.272494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.272494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.272494 (E_RNA)
where:
Base-Base interactions energy: -552.435
where: short stacking energy: -245.778
Base-Backbone interact. energy: -0.535
local terms energy: -244.302682
where:
bonds (distance) C4'-P energy: -47.056
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -75.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -725.719556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.719556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.719556 (E_RNA)
where:
Base-Base interactions energy: -510.293
where: short stacking energy: -193.340
Base-Backbone interact. energy: 0.689
local terms energy: -216.115810
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -518.090197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.090197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.090197 (E_RNA)
where:
Base-Base interactions energy: -327.396
where: short stacking energy: -136.415
Base-Backbone interact. energy: -0.294
local terms energy: -190.400936
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -214.610762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.610762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.610762 (E_RNA)
where:
Base-Base interactions energy: -69.744
where: short stacking energy: -65.088
Base-Backbone interact. energy: 2.551
local terms energy: -147.418041
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: 10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -972.960372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.960372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.960372 (E_RNA)
where:
Base-Base interactions energy: -667.461
where: short stacking energy: -297.509
Base-Backbone interact. energy: -0.237
local terms energy: -305.262616
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -56.942
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: -88.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -935.306873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.306873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.306873 (E_RNA)
where:
Base-Base interactions energy: -660.321
where: short stacking energy: -278.227
Base-Backbone interact. energy: 0.168
local terms energy: -275.153775
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -35.580
flat angles C4'-P-C4' energy: -59.562
flat angles P-C4'-P energy: -45.666
tors. eta vs tors. theta energy: -81.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -900.386297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.386297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.386297 (E_RNA)
where:
Base-Base interactions energy: -636.584
where: short stacking energy: -258.283
Base-Backbone interact. energy: 0.724
local terms energy: -264.526201
where:
bonds (distance) C4'-P energy: -45.786
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -74.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -871.310641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.310641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.310641 (E_RNA)
where:
Base-Base interactions energy: -600.278
where: short stacking energy: -268.909
Base-Backbone interact. energy: -0.129
local terms energy: -270.904012
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -50.404
flat angles C4'-P-C4' energy: -58.197
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -81.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -855.058066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.058066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.058066 (E_RNA)
where:
Base-Base interactions energy: -590.050
where: short stacking energy: -263.329
Base-Backbone interact. energy: -0.522
local terms energy: -264.486871
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -46.304
flat angles C4'-P-C4' energy: -56.004
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -78.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -805.627569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.627569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.627569 (E_RNA)
where:
Base-Base interactions energy: -552.402
where: short stacking energy: -246.512
Base-Backbone interact. energy: -0.428
local terms energy: -252.797270
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -72.475
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: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -805.040666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.040666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.040666 (E_RNA)
where:
Base-Base interactions energy: -570.696
where: short stacking energy: -248.595
Base-Backbone interact. energy: -1.207
local terms energy: -233.137846
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -27.876
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: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -700.757361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.757361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.757361 (E_RNA)
where:
Base-Base interactions energy: -494.562
where: short stacking energy: -184.589
Base-Backbone interact. energy: -1.078
local terms energy: -205.117576
where:
bonds (distance) C4'-P energy: -35.154
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -37.923
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: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -562.613480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.613480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.613480 (E_RNA)
where:
Base-Base interactions energy: -344.919
where: short stacking energy: -164.054
Base-Backbone interact. energy: -0.674
local terms energy: -217.021021
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -34.527
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: 68
Temperature: 1.350000
Total energy: -214.303087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.303087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.303087 (E_RNA)
where:
Base-Base interactions energy: -78.064
where: short stacking energy: -69.333
Base-Backbone interact. energy: -1.251
local terms energy: -134.988156
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -47.976
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: 7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -971.760797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.760797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.760797 (E_RNA)
where:
Base-Base interactions energy: -672.916
where: short stacking energy: -306.290
Base-Backbone interact. energy: -1.781
local terms energy: -297.064574
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -92.030
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: 69
Temperature: 0.950000
Total energy: -937.769960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.769960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.769960 (E_RNA)
where:
Base-Base interactions energy: -640.806
where: short stacking energy: -276.391
Base-Backbone interact. energy: -2.134
local terms energy: -294.829756
where:
bonds (distance) C4'-P energy: -54.360
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -88.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -915.931084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.931084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.931084 (E_RNA)
where:
Base-Base interactions energy: -638.965
where: short stacking energy: -281.288
Base-Backbone interact. energy: -0.307
local terms energy: -276.658983
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -54.588
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -32.487
tors. eta vs tors. theta energy: -83.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -856.062017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.062017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.062017 (E_RNA)
where:
Base-Base interactions energy: -587.223
where: short stacking energy: -251.664
Base-Backbone interact. energy: -0.448
local terms energy: -268.391763
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -46.463
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -74.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -840.535887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.535887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.535887 (E_RNA)
where:
Base-Base interactions energy: -577.027
where: short stacking energy: -249.489
Base-Backbone interact. energy: -0.358
local terms energy: -263.150264
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -45.082
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -76.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -829.149542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.149542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.149542 (E_RNA)
where:
Base-Base interactions energy: -572.992
where: short stacking energy: -242.550
Base-Backbone interact. energy: -2.342
local terms energy: -253.815100
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -61.561
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -68.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -805.249015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.249015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.249015 (E_RNA)
where:
Base-Base interactions energy: -557.311
where: short stacking energy: -262.613
Base-Backbone interact. energy: -0.213
local terms energy: -247.725586
where:
bonds (distance) C4'-P energy: -50.887
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -76.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -718.869260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.869260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.869260 (E_RNA)
where:
Base-Base interactions energy: -498.035
where: short stacking energy: -200.035
Base-Backbone interact. energy: -1.166
local terms energy: -219.667780
where:
bonds (distance) C4'-P energy: -44.194
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -46.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -572.039722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.039722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.039722 (E_RNA)
where:
Base-Base interactions energy: -348.914
where: short stacking energy: -147.120
Base-Backbone interact. energy: -1.549
local terms energy: -221.576712
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -53.411
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -241.547597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.547597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.547597 (E_RNA)
where:
Base-Base interactions energy: -80.666
where: short stacking energy: -68.479
Base-Backbone interact. energy: 0.958
local terms energy: -161.839427
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: 7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -967.841454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.841454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.841454 (E_RNA)
where:
Base-Base interactions energy: -673.169
where: short stacking energy: -297.006
Base-Backbone interact. energy: -1.048
local terms energy: -293.623646
where:
bonds (distance) C4'-P energy: -52.082
bonds (distance) P-C4' energy: -51.128
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -92.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -930.838806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.838806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.838806 (E_RNA)
where:
Base-Base interactions energy: -652.859
where: short stacking energy: -265.094
Base-Backbone interact. energy: -0.907
local terms energy: -277.073086
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -54.610
flat angles C4'-P-C4' energy: -57.278
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: -73.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -920.402439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.402439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.402439 (E_RNA)
where:
Base-Base interactions energy: -640.386
where: short stacking energy: -283.492
Base-Backbone interact. energy: -0.921
local terms energy: -279.095096
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -56.628
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -82.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -858.495088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.495088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.495088 (E_RNA)
where:
Base-Base interactions energy: -595.794
where: short stacking energy: -249.763
Base-Backbone interact. energy: -0.668
local terms energy: -262.032642
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -82.054
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: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -840.771447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.771447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.771447 (E_RNA)
where:
Base-Base interactions energy: -579.847
where: short stacking energy: -247.201
Base-Backbone interact. energy: 0.919
local terms energy: -261.843528
where:
bonds (distance) C4'-P energy: -52.821
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -58.941
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -62.788
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: 70
Temperature: 1.150000
Total energy: -814.481029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.481029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.481029 (E_RNA)
where:
Base-Base interactions energy: -569.218
where: short stacking energy: -250.160
Base-Backbone interact. energy: 1.048
local terms energy: -246.310397
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -69.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -712.670787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.670787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.670787 (E_RNA)
where:
Base-Base interactions energy: -479.551
where: short stacking energy: -199.143
Base-Backbone interact. energy: -1.946
local terms energy: -231.173805
where:
bonds (distance) C4'-P energy: -46.666
bonds (distance) P-C4' energy: -50.104
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -51.940
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: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -730.578289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.578289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.578289 (E_RNA)
where:
Base-Base interactions energy: -498.949
where: short stacking energy: -214.355
Base-Backbone interact. energy: 0.691
local terms energy: -232.320706
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -55.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -554.280410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.280410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.280410 (E_RNA)
where:
Base-Base interactions energy: -364.363
where: short stacking energy: -162.469
Base-Backbone interact. energy: -0.298
local terms energy: -189.619609
where:
bonds (distance) C4'-P energy: -27.597
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -33.523
tors. eta vs tors. theta energy: -40.139
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: 70
Temperature: 1.350000
Total energy: -208.780059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780059 (E_RNA)
where:
Base-Base interactions energy: -70.906
where: short stacking energy: -58.585
Base-Backbone interact. energy: 4.499
local terms energy: -142.372763
where:
bonds (distance) C4'-P energy: -51.305
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -38.887
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: 14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -955.213596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.213596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.213596 (E_RNA)
where:
Base-Base interactions energy: -662.011
where: short stacking energy: -286.311
Base-Backbone interact. energy: -1.001
local terms energy: -292.201782
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -55.220
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -84.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -957.071380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.071380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.071380 (E_RNA)
where:
Base-Base interactions energy: -667.017
where: short stacking energy: -280.332
Base-Backbone interact. energy: -0.437
local terms energy: -289.617701
where:
bonds (distance) C4'-P energy: -52.139
bonds (distance) P-C4' energy: -53.628
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -78.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -904.901433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.901433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.901433 (E_RNA)
where:
Base-Base interactions energy: -630.874
where: short stacking energy: -270.779
Base-Backbone interact. energy: -1.623
local terms energy: -272.404715
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -42.750
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -78.590
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -850.922703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.922703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.922703 (E_RNA)
where:
Base-Base interactions energy: -579.187
where: short stacking energy: -253.774
Base-Backbone interact. energy: -0.157
local terms energy: -271.578233
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -56.643
flat angles P-C4'-P energy: -44.411
tors. eta vs tors. theta energy: -75.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -834.528256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.528256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.528256 (E_RNA)
where:
Base-Base interactions energy: -576.348
where: short stacking energy: -250.458
Base-Backbone interact. energy: 1.769
local terms energy: -259.949910
where:
bonds (distance) C4'-P energy: -48.202
bonds (distance) P-C4' energy: -57.525
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -67.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -814.325239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.325239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.325239 (E_RNA)
where:
Base-Base interactions energy: -575.424
where: short stacking energy: -223.331
Base-Backbone interact. energy: -0.730
local terms energy: -238.170890
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -46.434
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -37.830
tors. eta vs tors. theta energy: -68.049
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: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -726.238345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.238345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.238345 (E_RNA)
where:
Base-Base interactions energy: -495.199
where: short stacking energy: -221.899
Base-Backbone interact. energy: -0.521
local terms energy: -230.518478
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -54.939
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -52.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -727.165441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.165441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.165441 (E_RNA)
where:
Base-Base interactions energy: -504.082
where: short stacking energy: -215.136
Base-Backbone interact. energy: -0.912
local terms energy: -222.170804
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -44.816
flat angles P-C4'-P energy: -31.553
tors. eta vs tors. theta energy: -62.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -596.715053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.715053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.715053 (E_RNA)
where:
Base-Base interactions energy: -375.143
where: short stacking energy: -161.390
Base-Backbone interact. energy: -1.486
local terms energy: -220.085904
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -50.512
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -228.159200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.159200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.159200 (E_RNA)
where:
Base-Base interactions energy: -57.492
where: short stacking energy: -51.380
Base-Backbone interact. energy: -1.583
local terms energy: -169.084170
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -44.590
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: 2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -955.272240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.272240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.272240 (E_RNA)
where:
Base-Base interactions energy: -654.124
where: short stacking energy: -279.659
Base-Backbone interact. energy: -1.562
local terms energy: -299.586362
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -61.717
flat angles C4'-P-C4' energy: -60.564
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -78.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -958.010813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.010813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.010813 (E_RNA)
where:
Base-Base interactions energy: -670.401
where: short stacking energy: -300.477
Base-Backbone interact. energy: -1.316
local terms energy: -286.294202
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -54.125
flat angles C4'-P-C4' energy: -60.215
flat angles P-C4'-P energy: -39.333
tors. eta vs tors. theta energy: -90.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -903.283695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.283695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.283695 (E_RNA)
where:
Base-Base interactions energy: -632.590
where: short stacking energy: -266.641
Base-Backbone interact. energy: -2.760
local terms energy: -267.933081
where:
bonds (distance) C4'-P energy: -49.760
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -79.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -853.517533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.517533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.517533 (E_RNA)
where:
Base-Base interactions energy: -596.074
where: short stacking energy: -261.871
Base-Backbone interact. energy: -0.708
local terms energy: -256.735491
where:
bonds (distance) C4'-P energy: -41.155
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -74.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -845.601145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.601145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.601145 (E_RNA)
where:
Base-Base interactions energy: -580.164
where: short stacking energy: -240.510
Base-Backbone interact. energy: -1.192
local terms energy: -264.244564
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -50.885
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -64.811
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: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -813.593885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.593885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.593885 (E_RNA)
where:
Base-Base interactions energy: -563.626
where: short stacking energy: -242.206
Base-Backbone interact. energy: 0.080
local terms energy: -250.047846
where:
bonds (distance) C4'-P energy: -42.436
bonds (distance) P-C4' energy: -56.139
flat angles C4'-P-C4' energy: -53.304
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -63.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -737.177418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.177418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.177418 (E_RNA)
where:
Base-Base interactions energy: -509.519
where: short stacking energy: -214.533
Base-Backbone interact. energy: 0.807
local terms energy: -228.465690
where:
bonds (distance) C4'-P energy: -40.117
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -62.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -688.386973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.386973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.386973 (E_RNA)
where:
Base-Base interactions energy: -475.610
where: short stacking energy: -195.742
Base-Backbone interact. energy: 0.772
local terms energy: -213.548800
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -594.164119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.164119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.164119 (E_RNA)
where:
Base-Base interactions energy: -402.133
where: short stacking energy: -159.884
Base-Backbone interact. energy: -1.357
local terms energy: -190.674323
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -32.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -226.676884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.676884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.676884 (E_RNA)
where:
Base-Base interactions energy: -68.534
where: short stacking energy: -61.237
Base-Backbone interact. energy: -1.016
local terms energy: -157.126591
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -38.931
flat angles P-C4'-P energy: -30.831
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: 73
Temperature: 0.900000
Total energy: -958.624005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.624005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.624005 (E_RNA)
where:
Base-Base interactions energy: -670.897
where: short stacking energy: -292.379
Base-Backbone interact. energy: -0.950
local terms energy: -286.776714
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -46.330
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -85.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -949.604340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.604340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.604340 (E_RNA)
where:
Base-Base interactions energy: -647.010
where: short stacking energy: -297.960
Base-Backbone interact. energy: -1.075
local terms energy: -301.519639
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -59.767
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -89.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -901.088720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.088720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.088720 (E_RNA)
where:
Base-Base interactions energy: -640.438
where: short stacking energy: -272.845
Base-Backbone interact. energy: -3.336
local terms energy: -257.314470
where:
bonds (distance) C4'-P energy: -35.880
bonds (distance) P-C4' energy: -46.581
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -78.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -847.340852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.340852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.340852 (E_RNA)
where:
Base-Base interactions energy: -591.715
where: short stacking energy: -250.253
Base-Backbone interact. energy: -0.335
local terms energy: -255.290962
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -70.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -848.521301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.521301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.521301 (E_RNA)
where:
Base-Base interactions energy: -583.512
where: short stacking energy: -255.198
Base-Backbone interact. energy: -1.075
local terms energy: -263.934219
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -50.642
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -74.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -777.662404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.662404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.662404 (E_RNA)
where:
Base-Base interactions energy: -549.293
where: short stacking energy: -228.153
Base-Backbone interact. energy: -1.546
local terms energy: -226.823586
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -42.787
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -61.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -741.224600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.224600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.224600 (E_RNA)
where:
Base-Base interactions energy: -505.815
where: short stacking energy: -196.863
Base-Backbone interact. energy: -0.584
local terms energy: -234.825865
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -47.368
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -60.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -724.534252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.534252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.534252 (E_RNA)
where:
Base-Base interactions energy: -510.717
where: short stacking energy: -214.732
Base-Backbone interact. energy: -0.687
local terms energy: -213.130138
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -548.791000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.791000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.791000 (E_RNA)
where:
Base-Base interactions energy: -357.369
where: short stacking energy: -160.143
Base-Backbone interact. energy: 1.429
local terms energy: -192.850978
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -45.956
flat angles C4'-P-C4' energy: -42.143
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -38.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -210.401518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.401518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.401518 (E_RNA)
where:
Base-Base interactions energy: -74.699
where: short stacking energy: -61.964
Base-Backbone interact. energy: 0.699
local terms energy: -136.401946
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -971.589616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.589616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.589616 (E_RNA)
where:
Base-Base interactions energy: -686.401
where: short stacking energy: -289.811
Base-Backbone interact. energy: -1.247
local terms energy: -283.942188
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -53.620
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -35.812
tors. eta vs tors. theta energy: -82.991
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: 74
Temperature: 0.950000
Total energy: -934.503627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.503627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.503627 (E_RNA)
where:
Base-Base interactions energy: -637.927
where: short stacking energy: -280.472
Base-Backbone interact. energy: -0.417
local terms energy: -296.158678
where:
bonds (distance) C4'-P energy: -52.900
bonds (distance) P-C4' energy: -57.714
flat angles C4'-P-C4' energy: -56.506
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -85.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -886.946255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.946255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.946255 (E_RNA)
where:
Base-Base interactions energy: -610.819
where: short stacking energy: -274.315
Base-Backbone interact. energy: -2.434
local terms energy: -273.692526
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: -79.246
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: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -873.662964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.662964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.662964 (E_RNA)
where:
Base-Base interactions energy: -583.111
where: short stacking energy: -252.300
Base-Backbone interact. energy: -0.401
local terms energy: -290.150790
where:
bonds (distance) C4'-P energy: -56.433
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -61.743
flat angles P-C4'-P energy: -39.622
tors. eta vs tors. theta energy: -76.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -818.382837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.382837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.382837 (E_RNA)
where:
Base-Base interactions energy: -568.145
where: short stacking energy: -252.335
Base-Backbone interact. energy: -0.552
local terms energy: -249.685993
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -65.909
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -792.731715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.731715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.731715 (E_RNA)
where:
Base-Base interactions energy: -557.929
where: short stacking energy: -243.119
Base-Backbone interact. energy: 0.910
local terms energy: -235.713200
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -65.810
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: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -767.943530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.943530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.943530 (E_RNA)
where:
Base-Base interactions energy: -532.095
where: short stacking energy: -220.697
Base-Backbone interact. energy: -0.343
local terms energy: -235.505477
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -52.644
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -63.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -733.975643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.975643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.975643 (E_RNA)
where:
Base-Base interactions energy: -508.245
where: short stacking energy: -215.580
Base-Backbone interact. energy: -1.433
local terms energy: -224.298071
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -24.855
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -537.079966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.079966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.079966 (E_RNA)
where:
Base-Base interactions energy: -352.659
where: short stacking energy: -160.894
Base-Backbone interact. energy: -1.244
local terms energy: -183.176958
where:
bonds (distance) C4'-P energy: -44.210
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -33.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -255.456680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.456680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.456680 (E_RNA)
where:
Base-Base interactions energy: -89.498
where: short stacking energy: -58.058
Base-Backbone interact. energy: -1.109
local terms energy: -164.849967
where:
bonds (distance) C4'-P energy: -50.528
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -45.094
flat angles P-C4'-P energy: -28.919
tors. eta vs tors. theta energy: 7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -956.796127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.796127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.796127 (E_RNA)
where:
Base-Base interactions energy: -660.450
where: short stacking energy: -304.377
Base-Backbone interact. energy: -0.057
local terms energy: -296.289008
where:
bonds (distance) C4'-P energy: -52.744
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -57.910
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -88.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -938.447018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.447018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.447018 (E_RNA)
where:
Base-Base interactions energy: -654.047
where: short stacking energy: -274.986
Base-Backbone interact. energy: -0.412
local terms energy: -283.988135
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -61.472
flat angles P-C4'-P energy: -39.644
tors. eta vs tors. theta energy: -88.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -893.397658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.397658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.397658 (E_RNA)
where:
Base-Base interactions energy: -612.841
where: short stacking energy: -282.015
Base-Backbone interact. energy: -0.658
local terms energy: -279.898288
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -87.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -878.919731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.919731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.919731 (E_RNA)
where:
Base-Base interactions energy: -609.512
where: short stacking energy: -271.718
Base-Backbone interact. energy: -0.182
local terms energy: -269.225584
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -74.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -835.671949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.671949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.671949 (E_RNA)
where:
Base-Base interactions energy: -579.288
where: short stacking energy: -227.877
Base-Backbone interact. energy: 1.535
local terms energy: -257.918621
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -72.887
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: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -801.982434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.982434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.982434 (E_RNA)
where:
Base-Base interactions energy: -568.434
where: short stacking energy: -235.711
Base-Backbone interact. energy: 0.592
local terms energy: -234.140764
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -58.125
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -55.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -779.993669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.993669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.993669 (E_RNA)
where:
Base-Base interactions energy: -539.287
where: short stacking energy: -230.461
Base-Backbone interact. energy: 0.700
local terms energy: -241.406747
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -47.230
flat angles P-C4'-P energy: -39.574
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -726.774481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.774481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.774481 (E_RNA)
where:
Base-Base interactions energy: -495.049
where: short stacking energy: -213.452
Base-Backbone interact. energy: 0.086
local terms energy: -231.811413
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -50.948
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -65.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -605.416139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.416139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.416139 (E_RNA)
where:
Base-Base interactions energy: -411.849
where: short stacking energy: -180.435
Base-Backbone interact. energy: -1.134
local terms energy: -192.433878
where:
bonds (distance) C4'-P energy: -41.734
bonds (distance) P-C4' energy: -51.684
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -35.936
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: 75
Temperature: 1.350000
Total energy: -216.330906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.330906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.330906 (E_RNA)
where:
Base-Base interactions energy: -93.198
where: short stacking energy: -62.844
Base-Backbone interact. energy: -1.138
local terms energy: -121.994329
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: 14.542
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: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -964.572295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.572295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.572295 (E_RNA)
where:
Base-Base interactions energy: -677.817
where: short stacking energy: -289.293
Base-Backbone interact. energy: -0.664
local terms energy: -286.091061
where:
bonds (distance) C4'-P energy: -45.568
bonds (distance) P-C4' energy: -54.444
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -86.887
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: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -935.361165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.361165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.361165 (E_RNA)
where:
Base-Base interactions energy: -647.720
where: short stacking energy: -277.900
Base-Backbone interact. energy: -1.765
local terms energy: -285.876141
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -82.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -899.282618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.282618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.282618 (E_RNA)
where:
Base-Base interactions energy: -609.477
where: short stacking energy: -260.512
Base-Backbone interact. energy: 0.077
local terms energy: -289.883386
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -38.814
tors. eta vs tors. theta energy: -80.509
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: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -858.172829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.172829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.172829 (E_RNA)
where:
Base-Base interactions energy: -581.255
where: short stacking energy: -254.946
Base-Backbone interact. energy: 0.326
local terms energy: -277.244019
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -38.741
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: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -816.183339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.183339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.183339 (E_RNA)
where:
Base-Base interactions energy: -581.643
where: short stacking energy: -226.197
Base-Backbone interact. energy: -1.330
local terms energy: -233.211005
where:
bonds (distance) C4'-P energy: -43.675
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -47.589
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -57.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -810.677779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.677779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.677779 (E_RNA)
where:
Base-Base interactions energy: -565.553
where: short stacking energy: -235.514
Base-Backbone interact. energy: 0.842
local terms energy: -245.967459
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -73.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -753.080323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.080323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.080323 (E_RNA)
where:
Base-Base interactions energy: -519.446
where: short stacking energy: -221.909
Base-Backbone interact. energy: -1.002
local terms energy: -232.632095
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -62.189
flat angles C4'-P-C4' energy: -47.612
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -58.792
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -762.050811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.050811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.050811 (E_RNA)
where:
Base-Base interactions energy: -526.009
where: short stacking energy: -218.126
Base-Backbone interact. energy: -1.015
local terms energy: -235.027014
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -60.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -570.064125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.064125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.064125 (E_RNA)
where:
Base-Base interactions energy: -358.146
where: short stacking energy: -153.641
Base-Backbone interact. energy: 0.395
local terms energy: -212.313385
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -32.907
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: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -226.920477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.920477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.920477 (E_RNA)
where:
Base-Base interactions energy: -93.727
where: short stacking energy: -91.457
Base-Backbone interact. energy: -0.431
local terms energy: -132.762789
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -975.720509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.720509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.720509 (E_RNA)
where:
Base-Base interactions energy: -672.363
where: short stacking energy: -292.235
Base-Backbone interact. energy: -2.416
local terms energy: -300.941809
where:
bonds (distance) C4'-P energy: -53.576
bonds (distance) P-C4' energy: -51.330
flat angles C4'-P-C4' energy: -63.767
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -953.816614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.816614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.816614 (E_RNA)
where:
Base-Base interactions energy: -666.548
where: short stacking energy: -281.374
Base-Backbone interact. energy: -1.393
local terms energy: -285.876290
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -49.650
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -39.595
tors. eta vs tors. theta energy: -88.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -882.876324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.876324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.876324 (E_RNA)
where:
Base-Base interactions energy: -606.542
where: short stacking energy: -256.470
Base-Backbone interact. energy: -1.953
local terms energy: -274.382302
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -53.530
flat angles C4'-P-C4' energy: -56.162
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -72.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -862.623842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.623842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.623842 (E_RNA)
where:
Base-Base interactions energy: -614.085
where: short stacking energy: -275.766
Base-Backbone interact. energy: -0.404
local terms energy: -248.134604
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -78.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -823.029009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.029009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.029009 (E_RNA)
where:
Base-Base interactions energy: -570.951
where: short stacking energy: -248.946
Base-Backbone interact. energy: -0.962
local terms energy: -251.115553
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -49.354
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -66.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -823.154873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.154873 (E_RNA)
where:
Base-Base interactions energy: -568.006
where: short stacking energy: -237.840
Base-Backbone interact. energy: -0.713
local terms energy: -254.435832
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -56.354
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -68.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -755.057690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.057690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.057690 (E_RNA)
where:
Base-Base interactions energy: -531.111
where: short stacking energy: -209.374
Base-Backbone interact. energy: -1.160
local terms energy: -222.786220
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -44.027
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -53.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -759.471911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.471911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.471911 (E_RNA)
where:
Base-Base interactions energy: -539.050
where: short stacking energy: -223.469
Base-Backbone interact. energy: -0.435
local terms energy: -219.986948
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -39.047
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -30.496
tors. eta vs tors. theta energy: -61.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -546.736383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.736383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.736383 (E_RNA)
where:
Base-Base interactions energy: -365.038
where: short stacking energy: -154.095
Base-Backbone interact. energy: -0.910
local terms energy: -180.788395
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -26.006
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -228.715848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.715848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.715848 (E_RNA)
where:
Base-Base interactions energy: -85.944
where: short stacking energy: -65.928
Base-Backbone interact. energy: 6.455
local terms energy: -149.227147
where:
bonds (distance) C4'-P energy: -41.440
bonds (distance) P-C4' energy: -55.800
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: 12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -953.989077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.989077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.989077 (E_RNA)
where:
Base-Base interactions energy: -655.991
where: short stacking energy: -299.840
Base-Backbone interact. energy: -0.499
local terms energy: -297.499278
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -61.232
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -88.694
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: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -951.528102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.528102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.528102 (E_RNA)
where:
Base-Base interactions energy: -664.617
where: short stacking energy: -282.361
Base-Backbone interact. energy: -1.057
local terms energy: -285.853859
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -61.738
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -83.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -861.188583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.188583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.188583 (E_RNA)
where:
Base-Base interactions energy: -580.026
where: short stacking energy: -247.374
Base-Backbone interact. energy: -0.782
local terms energy: -280.380671
where:
bonds (distance) C4'-P energy: -52.051
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -41.917
tors. eta vs tors. theta energy: -78.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -850.292691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.292691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.292691 (E_RNA)
where:
Base-Base interactions energy: -574.385
where: short stacking energy: -250.639
Base-Backbone interact. energy: -0.792
local terms energy: -275.115879
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -56.946
flat angles C4'-P-C4' energy: -60.153
flat angles P-C4'-P energy: -39.674
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: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -833.181940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.181940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.181940 (E_RNA)
where:
Base-Base interactions energy: -567.940
where: short stacking energy: -243.623
Base-Backbone interact. energy: 0.838
local terms energy: -266.080051
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -51.003
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -74.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -803.192897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.192897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.192897 (E_RNA)
where:
Base-Base interactions energy: -550.002
where: short stacking energy: -238.495
Base-Backbone interact. energy: -0.462
local terms energy: -252.729057
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -46.466
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -68.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -803.505111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.505111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.505111 (E_RNA)
where:
Base-Base interactions energy: -561.138
where: short stacking energy: -238.928
Base-Backbone interact. energy: -1.698
local terms energy: -240.669227
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -43.466
flat angles C4'-P-C4' energy: -51.201
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -69.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -728.302684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.302684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.302684 (E_RNA)
where:
Base-Base interactions energy: -509.739
where: short stacking energy: -212.235
Base-Backbone interact. energy: 1.880
local terms energy: -220.443685
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -35.491
tors. eta vs tors. theta energy: -53.630
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -545.889498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.889498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.889498 (E_RNA)
where:
Base-Base interactions energy: -365.371
where: short stacking energy: -157.849
Base-Backbone interact. energy: 0.825
local terms energy: -181.343593
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -47.576
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -211.173437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.173437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.173437 (E_RNA)
where:
Base-Base interactions energy: -51.711
where: short stacking energy: -45.187
Base-Backbone interact. energy: 1.952
local terms energy: -161.414583
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: 8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -965.343507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.343507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.343507 (E_RNA)
where:
Base-Base interactions energy: -682.714
where: short stacking energy: -285.686
Base-Backbone interact. energy: -1.624
local terms energy: -281.005698
where:
bonds (distance) C4'-P energy: -52.526
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -57.826
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -81.997
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -952.098558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.098558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.098558 (E_RNA)
where:
Base-Base interactions energy: -656.406
where: short stacking energy: -286.934
Base-Backbone interact. energy: 1.072
local terms energy: -296.764420
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -60.016
flat angles C4'-P-C4' energy: -57.618
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -85.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -875.586699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.586699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.586699 (E_RNA)
where:
Base-Base interactions energy: -603.590
where: short stacking energy: -263.975
Base-Backbone interact. energy: -1.185
local terms energy: -270.812406
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -71.563
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -842.187533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.187533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.187533 (E_RNA)
where:
Base-Base interactions energy: -570.994
where: short stacking energy: -245.286
Base-Backbone interact. energy: -1.006
local terms energy: -270.187174
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -41.596
flat angles C4'-P-C4' energy: -58.683
flat angles P-C4'-P energy: -37.017
tors. eta vs tors. theta energy: -76.769
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: 79
Temperature: 1.100000
Total energy: -817.370059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.370059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.370059 (E_RNA)
where:
Base-Base interactions energy: -566.916
where: short stacking energy: -245.143
Base-Backbone interact. energy: -0.169
local terms energy: -250.285767
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -45.469
flat angles C4'-P-C4' energy: -56.127
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -63.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -834.284836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.284836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.284836 (E_RNA)
where:
Base-Base interactions energy: -574.423
where: short stacking energy: -258.892
Base-Backbone interact. energy: -0.878
local terms energy: -258.984238
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -71.767
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: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -798.320680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.320680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.320680 (E_RNA)
where:
Base-Base interactions energy: -562.979
where: short stacking energy: -235.317
Base-Backbone interact. energy: 0.231
local terms energy: -235.572333
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -55.552
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -61.286
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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -708.981715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.981715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.981715 (E_RNA)
where:
Base-Base interactions energy: -475.621
where: short stacking energy: -200.457
Base-Backbone interact. energy: -0.221
local terms energy: -233.140185
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -50.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -557.443894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.443894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.443894 (E_RNA)
where:
Base-Base interactions energy: -351.780
where: short stacking energy: -156.094
Base-Backbone interact. energy: 0.794
local terms energy: -206.458226
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -41.057
flat angles C4'-P-C4' energy: -42.683
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -40.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -221.937953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.937953 (E_RNA)
where:
Base-Base interactions energy: -73.297
where: short stacking energy: -60.721
Base-Backbone interact. energy: -2.544
local terms energy: -146.096978
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -969.509442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.509442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.509442 (E_RNA)
where:
Base-Base interactions energy: -683.342
where: short stacking energy: -300.580
Base-Backbone interact. energy: -1.812
local terms energy: -284.356238
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: -92.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -956.041863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.041863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.041863 (E_RNA)
where:
Base-Base interactions energy: -656.753
where: short stacking energy: -297.349
Base-Backbone interact. energy: -0.555
local terms energy: -298.734158
where:
bonds (distance) C4'-P energy: -54.616
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -59.587
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -88.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -874.572837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.572837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.572837 (E_RNA)
where:
Base-Base interactions energy: -611.927
where: short stacking energy: -256.785
Base-Backbone interact. energy: -0.745
local terms energy: -261.901425
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -56.172
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -74.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -833.797605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.797605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.797605 (E_RNA)
where:
Base-Base interactions energy: -573.598
where: short stacking energy: -238.030
Base-Backbone interact. energy: -0.416
local terms energy: -259.783527
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -44.462
tors. eta vs tors. theta energy: -66.016
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: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -810.762885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.762885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.762885 (E_RNA)
where:
Base-Base interactions energy: -565.877
where: short stacking energy: -245.601
Base-Backbone interact. energy: 0.366
local terms energy: -245.251731
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -802.435761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.435761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.435761 (E_RNA)
where:
Base-Base interactions energy: -567.630
where: short stacking energy: -225.675
Base-Backbone interact. energy: 0.480
local terms energy: -235.286044
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -46.587
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: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -797.782492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.782492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.782492 (E_RNA)
where:
Base-Base interactions energy: -557.844
where: short stacking energy: -230.227
Base-Backbone interact. energy: -0.252
local terms energy: -239.687285
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -41.775
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -62.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -737.787949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.787949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.787949 (E_RNA)
where:
Base-Base interactions energy: -519.064
where: short stacking energy: -208.926
Base-Backbone interact. energy: 0.513
local terms energy: -219.237650
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -58.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -544.466343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.466343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.466343 (E_RNA)
where:
Base-Base interactions energy: -342.776
where: short stacking energy: -154.607
Base-Backbone interact. energy: 0.235
local terms energy: -201.925936
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -35.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -220.279062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.279062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.279062 (E_RNA)
where:
Base-Base interactions energy: -76.711
where: short stacking energy: -71.892
Base-Backbone interact. energy: 1.597
local terms energy: -145.164291
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -50.293
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: 9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -957.919238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.919238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.919238 (E_RNA)
where:
Base-Base interactions energy: -660.278
where: short stacking energy: -287.460
Base-Backbone interact. energy: -1.836
local terms energy: -295.804621
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -85.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -950.274754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.274754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.274754 (E_RNA)
where:
Base-Base interactions energy: -653.654
where: short stacking energy: -285.041
Base-Backbone interact. energy: -0.895
local terms energy: -295.725184
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -55.975
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -45.480
tors. eta vs tors. theta energy: -83.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -886.967280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.967280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.967280 (E_RNA)
where:
Base-Base interactions energy: -605.588
where: short stacking energy: -260.181
Base-Backbone interact. energy: -0.520
local terms energy: -280.859529
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -78.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -831.949041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.949041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.949041 (E_RNA)
where:
Base-Base interactions energy: -558.169
where: short stacking energy: -240.735
Base-Backbone interact. energy: -0.113
local terms energy: -273.666666
where:
bonds (distance) C4'-P energy: -48.872
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -37.038
tors. eta vs tors. theta energy: -77.276
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: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -818.663750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.663750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.663750 (E_RNA)
where:
Base-Base interactions energy: -564.743
where: short stacking energy: -243.077
Base-Backbone interact. energy: -0.852
local terms energy: -253.068564
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -75.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -817.996321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.996321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.996321 (E_RNA)
where:
Base-Base interactions energy: -577.847
where: short stacking energy: -242.644
Base-Backbone interact. energy: -2.802
local terms energy: -237.347051
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -64.954
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: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -784.412621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.412621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.412621 (E_RNA)
where:
Base-Base interactions energy: -533.121
where: short stacking energy: -219.021
Base-Backbone interact. energy: 0.624
local terms energy: -251.914992
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -46.136
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -69.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -732.313830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.313830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.313830 (E_RNA)
where:
Base-Base interactions energy: -498.005
where: short stacking energy: -217.551
Base-Backbone interact. energy: -0.330
local terms energy: -233.978937
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -44.426
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -59.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -579.305720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.305720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.305720 (E_RNA)
where:
Base-Base interactions energy: -377.120
where: short stacking energy: -154.349
Base-Backbone interact. energy: 2.211
local terms energy: -204.395975
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -47.151
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -233.762146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.762146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.762146 (E_RNA)
where:
Base-Base interactions energy: -86.135
where: short stacking energy: -82.600
Base-Backbone interact. energy: -1.695
local terms energy: -145.932631
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: 0.353
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -975.188798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.188798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.188798 (E_RNA)
where:
Base-Base interactions energy: -680.766
where: short stacking energy: -299.045
Base-Backbone interact. energy: -1.561
local terms energy: -292.861410
where:
bonds (distance) C4'-P energy: -55.729
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -54.996
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -89.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -938.214434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.214434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.214434 (E_RNA)
where:
Base-Base interactions energy: -650.202
where: short stacking energy: -283.873
Base-Backbone interact. energy: -0.519
local terms energy: -287.493294
where:
bonds (distance) C4'-P energy: -56.463
bonds (distance) P-C4' energy: -47.837
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -83.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -867.034864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.034864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.034864 (E_RNA)
where:
Base-Base interactions energy: -584.489
where: short stacking energy: -266.338
Base-Backbone interact. energy: 0.491
local terms energy: -283.037375
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -49.141
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -79.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -843.612095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.612095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.612095 (E_RNA)
where:
Base-Base interactions energy: -571.217
where: short stacking energy: -251.303
Base-Backbone interact. energy: -0.768
local terms energy: -271.626593
where:
bonds (distance) C4'-P energy: -51.118
bonds (distance) P-C4' energy: -50.375
flat angles C4'-P-C4' energy: -56.705
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -76.896
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: 82
Temperature: 1.100000
Total energy: -850.656536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.656536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.656536 (E_RNA)
where:
Base-Base interactions energy: -593.831
where: short stacking energy: -247.846
Base-Backbone interact. energy: 0.166
local terms energy: -256.991252
where:
bonds (distance) C4'-P energy: -42.322
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -60.702
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -67.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -808.251225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.251225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.251225 (E_RNA)
where:
Base-Base interactions energy: -568.449
where: short stacking energy: -230.463
Base-Backbone interact. energy: -1.659
local terms energy: -238.143768
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -69.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -776.029168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.029168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.029168 (E_RNA)
where:
Base-Base interactions energy: -538.440
where: short stacking energy: -228.935
Base-Backbone interact. energy: -1.002
local terms energy: -236.587207
where:
bonds (distance) C4'-P energy: -43.677
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -48.381
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -65.863
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: 82
Temperature: 1.250000
Total energy: -759.493409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.493409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.493409 (E_RNA)
where:
Base-Base interactions energy: -531.336
where: short stacking energy: -223.201
Base-Backbone interact. energy: 0.093
local terms energy: -228.250135
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -65.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -578.374648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.374648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.374648 (E_RNA)
where:
Base-Base interactions energy: -381.784
where: short stacking energy: -179.912
Base-Backbone interact. energy: 1.066
local terms energy: -197.656771
where:
bonds (distance) C4'-P energy: -44.743
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -39.946
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -39.424
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: 82
Temperature: 1.350000
Total energy: -227.867330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.867330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.867330 (E_RNA)
where:
Base-Base interactions energy: -101.539
where: short stacking energy: -67.331
Base-Backbone interact. energy: 1.537
local terms energy: -127.865021
where:
bonds (distance) C4'-P energy: -43.841
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: 7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -975.126984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.126984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.126984 (E_RNA)
where:
Base-Base interactions energy: -684.696
where: short stacking energy: -296.405
Base-Backbone interact. energy: 0.482
local terms energy: -290.912734
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -84.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -939.275492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.275492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.275492 (E_RNA)
where:
Base-Base interactions energy: -651.708
where: short stacking energy: -291.159
Base-Backbone interact. energy: -1.096
local terms energy: -286.471754
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -84.492
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: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -880.040477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.040477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.040477 (E_RNA)
where:
Base-Base interactions energy: -613.633
where: short stacking energy: -275.744
Base-Backbone interact. energy: -0.529
local terms energy: -265.878536
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -56.025
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -80.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -828.700112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.700112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.700112 (E_RNA)
where:
Base-Base interactions energy: -568.880
where: short stacking energy: -265.547
Base-Backbone interact. energy: 2.603
local terms energy: -262.422599
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -48.874
flat angles C4'-P-C4' energy: -56.376
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: -72.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -856.075336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.075336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.075336 (E_RNA)
where:
Base-Base interactions energy: -580.155
where: short stacking energy: -246.091
Base-Backbone interact. energy: -0.989
local terms energy: -274.931645
where:
bonds (distance) C4'-P energy: -35.757
bonds (distance) P-C4' energy: -58.593
flat angles C4'-P-C4' energy: -60.183
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -74.262
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: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -797.340892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.340892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.340892 (E_RNA)
where:
Base-Base interactions energy: -551.052
where: short stacking energy: -238.117
Base-Backbone interact. energy: -0.381
local terms energy: -245.907891
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -58.725
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -761.976003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.976003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.976003 (E_RNA)
where:
Base-Base interactions energy: -514.288
where: short stacking energy: -208.325
Base-Backbone interact. energy: -0.421
local terms energy: -247.267492
where:
bonds (distance) C4'-P energy: -54.099
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -50.715
flat angles P-C4'-P energy: -28.979
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: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -749.717414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.717414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.717414 (E_RNA)
where:
Base-Base interactions energy: -503.303
where: short stacking energy: -225.765
Base-Backbone interact. energy: -0.630
local terms energy: -245.784466
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -55.178
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -65.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -574.006558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.006558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.006558 (E_RNA)
where:
Base-Base interactions energy: -369.817
where: short stacking energy: -174.677
Base-Backbone interact. energy: -0.490
local terms energy: -203.700127
where:
bonds (distance) C4'-P energy: -45.808
bonds (distance) P-C4' energy: -44.809
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -42.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -211.763020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763020 (E_RNA)
where:
Base-Base interactions energy: -58.520
where: short stacking energy: -38.351
Base-Backbone interact. energy: -1.202
local terms energy: -152.041078
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: 6.995
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: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -982.509948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.509948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.509948 (E_RNA)
where:
Base-Base interactions energy: -679.470
where: short stacking energy: -304.173
Base-Backbone interact. energy: 0.899
local terms energy: -303.938522
where:
bonds (distance) C4'-P energy: -45.390
bonds (distance) P-C4' energy: -60.494
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -91.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -957.426219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.426219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.426219 (E_RNA)
where:
Base-Base interactions energy: -662.248
where: short stacking energy: -293.487
Base-Backbone interact. energy: -0.373
local terms energy: -294.804383
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -59.370
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: -85.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -891.330566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.330566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.330566 (E_RNA)
where:
Base-Base interactions energy: -614.957
where: short stacking energy: -277.125
Base-Backbone interact. energy: 0.107
local terms energy: -276.480859
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -78.677
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: 84
Temperature: 1.050000
Total energy: -859.012985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.012985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.012985 (E_RNA)
where:
Base-Base interactions energy: -594.694
where: short stacking energy: -243.379
Base-Backbone interact. energy: -1.122
local terms energy: -263.196992
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -58.721
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -69.597
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: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -848.699403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.699403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.699403 (E_RNA)
where:
Base-Base interactions energy: -594.501
where: short stacking energy: -248.240
Base-Backbone interact. energy: 0.678
local terms energy: -254.876196
where:
bonds (distance) C4'-P energy: -47.027
bonds (distance) P-C4' energy: -51.395
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -70.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -804.791362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.791362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.791362 (E_RNA)
where:
Base-Base interactions energy: -545.606
where: short stacking energy: -232.948
Base-Backbone interact. energy: -0.614
local terms energy: -258.570826
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -39.124
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: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -790.472247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.472247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.472247 (E_RNA)
where:
Base-Base interactions energy: -544.933
where: short stacking energy: -240.932
Base-Backbone interact. energy: -0.612
local terms energy: -244.927917
where:
bonds (distance) C4'-P energy: -42.300
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -63.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -757.127709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.127709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.127709 (E_RNA)
where:
Base-Base interactions energy: -516.348
where: short stacking energy: -221.459
Base-Backbone interact. energy: -0.796
local terms energy: -239.983544
where:
bonds (distance) C4'-P energy: -49.214
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -46.764
flat angles P-C4'-P energy: -40.826
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: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -594.827773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.827773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.827773 (E_RNA)
where:
Base-Base interactions energy: -386.165
where: short stacking energy: -158.469
Base-Backbone interact. energy: 0.634
local terms energy: -209.297038
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -29.923
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: 84
Temperature: 1.350000
Total energy: -234.857152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.857152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.857152 (E_RNA)
where:
Base-Base interactions energy: -83.797
where: short stacking energy: -62.096
Base-Backbone interact. energy: 1.912
local terms energy: -152.972920
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -53.800
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: 0.917
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: 85
Temperature: 0.900000
Total energy: -981.338384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.338384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.338384 (E_RNA)
where:
Base-Base interactions energy: -676.718
where: short stacking energy: -298.954
Base-Backbone interact. energy: -0.589
local terms energy: -304.030833
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -49.362
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -46.666
tors. eta vs tors. theta energy: -88.883
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: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -926.114671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.114671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.114671 (E_RNA)
where:
Base-Base interactions energy: -646.224
where: short stacking energy: -286.720
Base-Backbone interact. energy: -0.631
local terms energy: -279.259556
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -78.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -872.905238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.905238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.905238 (E_RNA)
where:
Base-Base interactions energy: -595.543
where: short stacking energy: -250.930
Base-Backbone interact. energy: -0.452
local terms energy: -276.910343
where:
bonds (distance) C4'-P energy: -53.494
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -58.467
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -74.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -874.864907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.864907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.864907 (E_RNA)
where:
Base-Base interactions energy: -613.762
where: short stacking energy: -248.720
Base-Backbone interact. energy: -0.193
local terms energy: -260.910746
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -62.737
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -37.647
tors. eta vs tors. theta energy: -67.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -821.435659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.435659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.435659 (E_RNA)
where:
Base-Base interactions energy: -562.070
where: short stacking energy: -237.741
Base-Backbone interact. energy: -0.508
local terms energy: -258.857144
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -54.805
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -68.891
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: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -798.559837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.559837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.559837 (E_RNA)
where:
Base-Base interactions energy: -548.897
where: short stacking energy: -245.159
Base-Backbone interact. energy: -0.628
local terms energy: -249.033988
where:
bonds (distance) C4'-P energy: -39.649
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -56.054
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -68.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -766.105160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.105160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.105160 (E_RNA)
where:
Base-Base interactions energy: -523.071
where: short stacking energy: -214.292
Base-Backbone interact. energy: -0.076
local terms energy: -242.958798
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -68.960
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -719.676563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.676563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.676563 (E_RNA)
where:
Base-Base interactions energy: -499.228
where: short stacking energy: -211.012
Base-Backbone interact. energy: -0.364
local terms energy: -220.084461
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -53.446
flat angles P-C4'-P energy: -27.654
tors. eta vs tors. theta energy: -52.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -590.482560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.482560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.482560 (E_RNA)
where:
Base-Base interactions energy: -375.563
where: short stacking energy: -170.183
Base-Backbone interact. energy: -1.360
local terms energy: -213.559707
where:
bonds (distance) C4'-P energy: -35.929
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -48.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -220.085246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085246 (E_RNA)
where:
Base-Base interactions energy: -51.419
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.542
local terms energy: -168.123805
where:
bonds (distance) C4'-P energy: -54.717
bonds (distance) P-C4' energy: -47.131
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: 10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -971.531039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.531039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.531039 (E_RNA)
where:
Base-Base interactions energy: -670.440
where: short stacking energy: -291.446
Base-Backbone interact. energy: -0.221
local terms energy: -300.869419
where:
bonds (distance) C4'-P energy: -54.218
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -55.645
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -87.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -946.822571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.822571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.822571 (E_RNA)
where:
Base-Base interactions energy: -661.239
where: short stacking energy: -290.772
Base-Backbone interact. energy: 1.102
local terms energy: -286.685417
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -61.934
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -85.662
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: 86
Temperature: 1.000000
Total energy: -885.132018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.132018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.132018 (E_RNA)
where:
Base-Base interactions energy: -594.616
where: short stacking energy: -253.698
Base-Backbone interact. energy: -1.053
local terms energy: -289.462751
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -50.373
flat angles P-C4'-P energy: -48.151
tors. eta vs tors. theta energy: -79.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -862.446968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.446968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.446968 (E_RNA)
where:
Base-Base interactions energy: -616.431
where: short stacking energy: -255.787
Base-Backbone interact. energy: -0.445
local terms energy: -245.570500
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -67.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -830.840062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.840062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.840062 (E_RNA)
where:
Base-Base interactions energy: -565.075
where: short stacking energy: -241.188
Base-Backbone interact. energy: -1.077
local terms energy: -264.687961
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -36.725
tors. eta vs tors. theta energy: -70.917
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -802.836685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.836685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.836685 (E_RNA)
where:
Base-Base interactions energy: -547.948
where: short stacking energy: -233.864
Base-Backbone interact. energy: -0.275
local terms energy: -254.613793
where:
bonds (distance) C4'-P energy: -54.597
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -48.929
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -78.082
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: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -734.472747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.472747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.472747 (E_RNA)
where:
Base-Base interactions energy: -510.473
where: short stacking energy: -213.861
Base-Backbone interact. energy: 0.176
local terms energy: -224.176361
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -48.062
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -56.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -785.482825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.482825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.482825 (E_RNA)
where:
Base-Base interactions energy: -539.780
where: short stacking energy: -241.221
Base-Backbone interact. energy: -0.924
local terms energy: -244.779301
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -30.075
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: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -569.866217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.866217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.866217 (E_RNA)
where:
Base-Base interactions energy: -385.318
where: short stacking energy: -159.705
Base-Backbone interact. energy: -0.881
local terms energy: -183.667535
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -49.158
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -38.809
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: 86
Temperature: 1.350000
Total energy: -221.938440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.938440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.938440 (E_RNA)
where:
Base-Base interactions energy: -88.082
where: short stacking energy: -83.293
Base-Backbone interact. energy: 4.410
local terms energy: -138.266732
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -45.417
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: 7.164
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: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -971.438275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.438275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.438275 (E_RNA)
where:
Base-Base interactions energy: -666.209
where: short stacking energy: -283.592
Base-Backbone interact. energy: -1.482
local terms energy: -303.746395
where:
bonds (distance) C4'-P energy: -62.057
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -63.563
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -85.646
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: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -946.670097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.670097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.670097 (E_RNA)
where:
Base-Base interactions energy: -652.761
where: short stacking energy: -276.839
Base-Backbone interact. energy: -1.946
local terms energy: -291.962556
where:
bonds (distance) C4'-P energy: -54.868
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -62.219
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -82.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -884.702752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.702752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.702752 (E_RNA)
where:
Base-Base interactions energy: -605.625
where: short stacking energy: -263.259
Base-Backbone interact. energy: -0.790
local terms energy: -278.288654
where:
bonds (distance) C4'-P energy: -51.758
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -39.102
tors. eta vs tors. theta energy: -77.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -866.783709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.783709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.783709 (E_RNA)
where:
Base-Base interactions energy: -610.382
where: short stacking energy: -255.806
Base-Backbone interact. energy: -1.689
local terms energy: -254.712684
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -58.296
flat angles P-C4'-P energy: -43.300
tors. eta vs tors. theta energy: -68.161
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: 87
Temperature: 1.100000
Total energy: -849.584425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.584425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.584425 (E_RNA)
where:
Base-Base interactions energy: -604.412
where: short stacking energy: -259.575
Base-Backbone interact. energy: -0.275
local terms energy: -244.897330
where:
bonds (distance) C4'-P energy: -44.767
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -50.886
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -73.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -796.599688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.599688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.599688 (E_RNA)
where:
Base-Base interactions energy: -550.086
where: short stacking energy: -237.708
Base-Backbone interact. energy: -0.194
local terms energy: -246.319916
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -40.672
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -71.641
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -748.460313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.460313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.460313 (E_RNA)
where:
Base-Base interactions energy: -510.711
where: short stacking energy: -209.524
Base-Backbone interact. energy: 1.347
local terms energy: -239.096690
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -50.661
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -56.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -746.080339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.080339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.080339 (E_RNA)
where:
Base-Base interactions energy: -534.593
where: short stacking energy: -217.871
Base-Backbone interact. energy: 0.816
local terms energy: -212.303211
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -42.499
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -64.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -575.644950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.644950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.644950 (E_RNA)
where:
Base-Base interactions energy: -374.356
where: short stacking energy: -171.887
Base-Backbone interact. energy: -0.371
local terms energy: -200.917829
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -36.835
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -28.038
tors. eta vs tors. theta energy: -39.104
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -233.355329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.355329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.355329 (E_RNA)
where:
Base-Base interactions energy: -99.590
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.521
local terms energy: -133.244039
where:
bonds (distance) C4'-P energy: -37.966
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -1.453
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: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -962.271323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.271323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.271323 (E_RNA)
where:
Base-Base interactions energy: -675.321
where: short stacking energy: -299.039
Base-Backbone interact. energy: 0.318
local terms energy: -287.268575
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -87.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -929.924088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.924088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.924088 (E_RNA)
where:
Base-Base interactions energy: -643.865
where: short stacking energy: -288.573
Base-Backbone interact. energy: -1.074
local terms energy: -284.984941
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -59.023
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -82.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -886.151930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.151930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.151930 (E_RNA)
where:
Base-Base interactions energy: -611.945
where: short stacking energy: -269.354
Base-Backbone interact. energy: -0.217
local terms energy: -273.990343
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -75.831
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -873.435677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.435677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.435677 (E_RNA)
where:
Base-Base interactions energy: -594.304
where: short stacking energy: -274.567
Base-Backbone interact. energy: -0.776
local terms energy: -278.355050
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -62.434
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -67.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -846.805172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.805172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.805172 (E_RNA)
where:
Base-Base interactions energy: -580.072
where: short stacking energy: -254.395
Base-Backbone interact. energy: 0.799
local terms energy: -267.532304
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -76.209
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -793.364601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.364601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.364601 (E_RNA)
where:
Base-Base interactions energy: -551.417
where: short stacking energy: -228.715
Base-Backbone interact. energy: -1.109
local terms energy: -240.837838
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -47.824
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -59.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -774.147590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.147590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.147590 (E_RNA)
where:
Base-Base interactions energy: -544.545
where: short stacking energy: -229.394
Base-Backbone interact. energy: -1.957
local terms energy: -227.646238
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -59.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -705.542600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.542600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.542600 (E_RNA)
where:
Base-Base interactions energy: -485.498
where: short stacking energy: -210.070
Base-Backbone interact. energy: 4.232
local terms energy: -224.276399
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -40.739
tors. eta vs tors. theta energy: -51.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -564.866336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.866336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.866336 (E_RNA)
where:
Base-Base interactions energy: -359.372
where: short stacking energy: -163.949
Base-Backbone interact. energy: -1.217
local terms energy: -204.276968
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -43.786
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -34.684
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: 88
Temperature: 1.350000
Total energy: -220.566555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.566555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.566555 (E_RNA)
where:
Base-Base interactions energy: -77.012
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.702
local terms energy: -142.852828
where:
bonds (distance) C4'-P energy: -46.494
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: 5.961
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: 89
Temperature: 0.900000
Total energy: -960.314947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.314947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.314947 (E_RNA)
where:
Base-Base interactions energy: -681.832
where: short stacking energy: -288.398
Base-Backbone interact. energy: -1.201
local terms energy: -277.282212
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -47.655
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -78.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -953.850075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.850075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.850075 (E_RNA)
where:
Base-Base interactions energy: -674.042
where: short stacking energy: -295.158
Base-Backbone interact. energy: -0.973
local terms energy: -278.835477
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -871.026097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.026097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.026097 (E_RNA)
where:
Base-Base interactions energy: -603.742
where: short stacking energy: -267.736
Base-Backbone interact. energy: 1.705
local terms energy: -268.989898
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -48.574
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -879.033793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.033793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.033793 (E_RNA)
where:
Base-Base interactions energy: -606.855
where: short stacking energy: -241.025
Base-Backbone interact. energy: -1.675
local terms energy: -270.503925
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -55.019
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -830.130372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.130372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.130372 (E_RNA)
where:
Base-Base interactions energy: -583.449
where: short stacking energy: -267.470
Base-Backbone interact. energy: -0.617
local terms energy: -246.064113
where:
bonds (distance) C4'-P energy: -43.585
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -79.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -788.873254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.873254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.873254 (E_RNA)
where:
Base-Base interactions energy: -547.536
where: short stacking energy: -222.166
Base-Backbone interact. energy: -1.465
local terms energy: -239.872742
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -48.461
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -63.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -777.788201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.788201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.788201 (E_RNA)
where:
Base-Base interactions energy: -554.061
where: short stacking energy: -219.981
Base-Backbone interact. energy: -1.016
local terms energy: -222.710782
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -46.397
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -64.086
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: 89
Temperature: 1.250000
Total energy: -679.881074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.881074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.881074 (E_RNA)
where:
Base-Base interactions energy: -460.645
where: short stacking energy: -187.136
Base-Backbone interact. energy: 1.061
local terms energy: -220.296549
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -48.962
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -50.565
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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -564.506391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.506391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.506391 (E_RNA)
where:
Base-Base interactions energy: -400.535
where: short stacking energy: -183.426
Base-Backbone interact. energy: -0.772
local terms energy: -163.199159
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -32.204
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -50.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -218.673457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673457 (E_RNA)
where:
Base-Base interactions energy: -87.626
where: short stacking energy: -74.444
Base-Backbone interact. energy: -1.485
local terms energy: -129.561887
where:
bonds (distance) C4'-P energy: -42.275
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: 8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -967.591683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.591683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.591683 (E_RNA)
where:
Base-Base interactions energy: -673.075
where: short stacking energy: -299.085
Base-Backbone interact. energy: -1.075
local terms energy: -293.442203
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -63.385
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -86.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -942.665575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.665575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.665575 (E_RNA)
where:
Base-Base interactions energy: -663.909
where: short stacking energy: -268.910
Base-Backbone interact. energy: -0.959
local terms energy: -277.796997
where:
bonds (distance) C4'-P energy: -50.046
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -57.276
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -79.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -894.619706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.619706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.619706 (E_RNA)
where:
Base-Base interactions energy: -623.516
where: short stacking energy: -261.990
Base-Backbone interact. energy: -0.508
local terms energy: -270.596179
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -72.278
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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -860.998708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.998708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.998708 (E_RNA)
where:
Base-Base interactions energy: -606.037
where: short stacking energy: -248.554
Base-Backbone interact. energy: -0.221
local terms energy: -254.740640
where:
bonds (distance) C4'-P energy: -53.413
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -50.453
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -70.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -821.910432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.910432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.910432 (E_RNA)
where:
Base-Base interactions energy: -565.254
where: short stacking energy: -239.760
Base-Backbone interact. energy: 0.387
local terms energy: -257.044007
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -801.450539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.450539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.450539 (E_RNA)
where:
Base-Base interactions energy: -563.808
where: short stacking energy: -224.721
Base-Backbone interact. energy: 2.064
local terms energy: -239.706499
where:
bonds (distance) C4'-P energy: -52.336
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -55.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -709.169458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.169458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.169458 (E_RNA)
where:
Base-Base interactions energy: -476.460
where: short stacking energy: -198.153
Base-Backbone interact. energy: 0.324
local terms energy: -233.032728
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -60.352
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -714.173625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.173625 (E_RNA)
where:
Base-Base interactions energy: -497.892
where: short stacking energy: -193.931
Base-Backbone interact. energy: -0.226
local terms energy: -216.055446
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -53.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -588.785022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.785022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.785022 (E_RNA)
where:
Base-Base interactions energy: -380.866
where: short stacking energy: -167.706
Base-Backbone interact. energy: 0.691
local terms energy: -208.610062
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -41.379
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: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -245.173370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.173370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.173370 (E_RNA)
where:
Base-Base interactions energy: -94.690
where: short stacking energy: -69.892
Base-Backbone interact. energy: 2.813
local terms energy: -153.296759
where:
bonds (distance) C4'-P energy: -43.235
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -966.494525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.494525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.494525 (E_RNA)
where:
Base-Base interactions energy: -668.392
where: short stacking energy: -295.293
Base-Backbone interact. energy: -1.574
local terms energy: -296.528688
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -53.695
flat angles C4'-P-C4' energy: -57.874
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -89.150
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: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -945.219733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.219733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.219733 (E_RNA)
where:
Base-Base interactions energy: -653.886
where: short stacking energy: -294.231
Base-Backbone interact. energy: -0.735
local terms energy: -290.598935
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -89.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -893.064499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.064499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.064499 (E_RNA)
where:
Base-Base interactions energy: -618.311
where: short stacking energy: -265.281
Base-Backbone interact. energy: -1.116
local terms energy: -273.636659
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -51.411
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: -77.798
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: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -867.588211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.588211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.588211 (E_RNA)
where:
Base-Base interactions energy: -608.155
where: short stacking energy: -262.168
Base-Backbone interact. energy: -1.297
local terms energy: -258.136897
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -52.234
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -71.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -815.332694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.332694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.332694 (E_RNA)
where:
Base-Base interactions energy: -562.752
where: short stacking energy: -241.540
Base-Backbone interact. energy: 0.540
local terms energy: -253.120981
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -57.288
flat angles C4'-P-C4' energy: -50.749
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -63.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -796.902981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.902981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.902981 (E_RNA)
where:
Base-Base interactions energy: -565.002
where: short stacking energy: -229.656
Base-Backbone interact. energy: 1.080
local terms energy: -232.980848
where:
bonds (distance) C4'-P energy: -47.784
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -56.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -733.769515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.769515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.769515 (E_RNA)
where:
Base-Base interactions energy: -491.693
where: short stacking energy: -199.680
Base-Backbone interact. energy: 0.064
local terms energy: -242.140909
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -66.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -732.844550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.844550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.844550 (E_RNA)
where:
Base-Base interactions energy: -493.265
where: short stacking energy: -208.956
Base-Backbone interact. energy: -0.242
local terms energy: -239.337953
where:
bonds (distance) C4'-P energy: -39.582
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -55.670
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -59.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -569.558883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.558883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.558883 (E_RNA)
where:
Base-Base interactions energy: -364.207
where: short stacking energy: -167.917
Base-Backbone interact. energy: -0.715
local terms energy: -204.636550
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -39.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -224.119578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.119578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.119578 (E_RNA)
where:
Base-Base interactions energy: -78.703
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.387
local terms energy: -145.029575
where:
bonds (distance) C4'-P energy: -45.942
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: 13.124
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: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -967.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.774543 (E_RNA)
where:
Base-Base interactions energy: -675.236
where: short stacking energy: -285.923
Base-Backbone interact. energy: -0.244
local terms energy: -292.294998
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -83.714
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -940.137313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.137313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.137313 (E_RNA)
where:
Base-Base interactions energy: -647.554
where: short stacking energy: -276.492
Base-Backbone interact. energy: -1.544
local terms energy: -291.038647
where:
bonds (distance) C4'-P energy: -49.011
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -88.329
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: 92
Temperature: 1.000000
Total energy: -914.296258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.296258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.296258 (E_RNA)
where:
Base-Base interactions energy: -646.630
where: short stacking energy: -278.327
Base-Backbone interact. energy: -0.474
local terms energy: -267.191942
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -77.889
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -856.433018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.433018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.433018 (E_RNA)
where:
Base-Base interactions energy: -597.193
where: short stacking energy: -257.870
Base-Backbone interact. energy: 1.750
local terms energy: -260.990838
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -54.529
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -72.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -822.562371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.562371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.562371 (E_RNA)
where:
Base-Base interactions energy: -572.531
where: short stacking energy: -252.316
Base-Backbone interact. energy: 0.141
local terms energy: -250.172375
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -44.035
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -37.325
tors. eta vs tors. theta energy: -73.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -804.260889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.260889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.260889 (E_RNA)
where:
Base-Base interactions energy: -559.739
where: short stacking energy: -241.286
Base-Backbone interact. energy: -0.475
local terms energy: -244.046972
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -56.567
flat angles P-C4'-P energy: -32.189
tors. eta vs tors. theta energy: -63.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -744.890940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.890940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.890940 (E_RNA)
where:
Base-Base interactions energy: -522.216
where: short stacking energy: -215.698
Base-Backbone interact. energy: 0.395
local terms energy: -223.070012
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -49.180
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -51.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -731.504139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.504139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.504139 (E_RNA)
where:
Base-Base interactions energy: -506.184
where: short stacking energy: -224.071
Base-Backbone interact. energy: -0.604
local terms energy: -224.715898
where:
bonds (distance) C4'-P energy: -39.384
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -48.544
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -67.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -566.936187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.936187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.936187 (E_RNA)
where:
Base-Base interactions energy: -367.299
where: short stacking energy: -175.440
Base-Backbone interact. energy: -1.288
local terms energy: -198.349250
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -31.951
flat angles C4'-P-C4' energy: -50.837
flat angles P-C4'-P energy: -29.244
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: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -224.700505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.700505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.700505 (E_RNA)
where:
Base-Base interactions energy: -73.792
where: short stacking energy: -64.527
Base-Backbone interact. energy: -1.350
local terms energy: -149.559262
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: 3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -958.164391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.164391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.164391 (E_RNA)
where:
Base-Base interactions energy: -650.512
where: short stacking energy: -293.885
Base-Backbone interact. energy: -0.237
local terms energy: -307.415051
where:
bonds (distance) C4'-P energy: -61.940
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -61.091
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: -87.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -908.558875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.558875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.558875 (E_RNA)
where:
Base-Base interactions energy: -630.790
where: short stacking energy: -266.296
Base-Backbone interact. energy: -1.008
local terms energy: -276.760564
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -75.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -929.318526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.318526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.318526 (E_RNA)
where:
Base-Base interactions energy: -639.309
where: short stacking energy: -288.394
Base-Backbone interact. energy: -1.498
local terms energy: -288.511568
where:
bonds (distance) C4'-P energy: -56.502
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -61.623
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -86.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -860.478535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.478535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.478535 (E_RNA)
where:
Base-Base interactions energy: -595.636
where: short stacking energy: -254.798
Base-Backbone interact. energy: 0.344
local terms energy: -265.187132
where:
bonds (distance) C4'-P energy: -49.467
bonds (distance) P-C4' energy: -47.295
flat angles C4'-P-C4' energy: -58.852
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -70.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -824.551123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.551123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.551123 (E_RNA)
where:
Base-Base interactions energy: -566.047
where: short stacking energy: -251.438
Base-Backbone interact. energy: -1.039
local terms energy: -257.465096
where:
bonds (distance) C4'-P energy: -53.072
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -69.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -816.194563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.194563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.194563 (E_RNA)
where:
Base-Base interactions energy: -555.188
where: short stacking energy: -238.567
Base-Backbone interact. energy: 0.876
local terms energy: -261.882278
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -48.900
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -67.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -776.887285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.887285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.887285 (E_RNA)
where:
Base-Base interactions energy: -533.704
where: short stacking energy: -219.144
Base-Backbone interact. energy: -0.855
local terms energy: -242.329044
where:
bonds (distance) C4'-P energy: -48.824
bonds (distance) P-C4' energy: -39.215
flat angles C4'-P-C4' energy: -51.162
flat angles P-C4'-P energy: -39.332
tors. eta vs tors. theta energy: -63.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -734.321603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.321603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.321603 (E_RNA)
where:
Base-Base interactions energy: -495.800
where: short stacking energy: -215.736
Base-Backbone interact. energy: -0.508
local terms energy: -238.013602
where:
bonds (distance) C4'-P energy: -37.738
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -60.593
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -535.140806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.140806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.140806 (E_RNA)
where:
Base-Base interactions energy: -351.058
where: short stacking energy: -156.198
Base-Backbone interact. energy: -0.143
local terms energy: -183.940221
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -31.808
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: 93
Temperature: 1.350000
Total energy: -242.510457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.510457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.510457 (E_RNA)
where:
Base-Base interactions energy: -87.858
where: short stacking energy: -66.566
Base-Backbone interact. energy: 1.740
local terms energy: -156.392267
where:
bonds (distance) C4'-P energy: -40.992
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -48.196
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -958.057960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.057960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.057960 (E_RNA)
where:
Base-Base interactions energy: -659.097
where: short stacking energy: -284.282
Base-Backbone interact. energy: -1.209
local terms energy: -297.752173
where:
bonds (distance) C4'-P energy: -56.893
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: -87.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -926.572953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.572953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.572953 (E_RNA)
where:
Base-Base interactions energy: -639.310
where: short stacking energy: -276.702
Base-Backbone interact. energy: -0.264
local terms energy: -286.999682
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -63.381
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -83.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -936.078604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.078604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.078604 (E_RNA)
where:
Base-Base interactions energy: -661.903
where: short stacking energy: -278.855
Base-Backbone interact. energy: -0.908
local terms energy: -273.268313
where:
bonds (distance) C4'-P energy: -52.969
bonds (distance) P-C4' energy: -49.847
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -85.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -867.485445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.485445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.485445 (E_RNA)
where:
Base-Base interactions energy: -609.433
where: short stacking energy: -259.165
Base-Backbone interact. energy: -0.405
local terms energy: -257.647261
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -72.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -813.933049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.933049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.933049 (E_RNA)
where:
Base-Base interactions energy: -556.599
where: short stacking energy: -243.466
Base-Backbone interact. energy: 0.735
local terms energy: -258.068789
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -49.306
flat angles C4'-P-C4' energy: -59.801
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -73.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -839.650514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.650514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.650514 (E_RNA)
where:
Base-Base interactions energy: -579.818
where: short stacking energy: -256.228
Base-Backbone interact. energy: -0.652
local terms energy: -259.180497
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -70.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -792.970793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.970793 (E_RNA)
where:
Base-Base interactions energy: -538.421
where: short stacking energy: -244.221
Base-Backbone interact. energy: -0.558
local terms energy: -253.992133
where:
bonds (distance) C4'-P energy: -44.930
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: -70.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -721.316850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.316850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.316850 (E_RNA)
where:
Base-Base interactions energy: -516.260
where: short stacking energy: -205.596
Base-Backbone interact. energy: -0.472
local terms energy: -204.584494
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -44.035
flat angles C4'-P-C4' energy: -45.834
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -51.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -550.231106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.231106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.231106 (E_RNA)
where:
Base-Base interactions energy: -351.464
where: short stacking energy: -151.067
Base-Backbone interact. energy: -1.059
local terms energy: -197.707966
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -45.739
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -28.241
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: 94
Temperature: 1.350000
Total energy: -239.822569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.822569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.822569 (E_RNA)
where:
Base-Base interactions energy: -93.265
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.593
local terms energy: -145.963876
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -45.466
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: 5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -966.243062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.243062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.243062 (E_RNA)
where:
Base-Base interactions energy: -671.376
where: short stacking energy: -290.395
Base-Backbone interact. energy: -1.903
local terms energy: -292.964306
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -57.539
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -87.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -938.479169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.479169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.479169 (E_RNA)
where:
Base-Base interactions energy: -650.934
where: short stacking energy: -284.655
Base-Backbone interact. energy: 3.841
local terms energy: -291.386242
where:
bonds (distance) C4'-P energy: -56.173
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -93.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -905.230778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.230778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.230778 (E_RNA)
where:
Base-Base interactions energy: -628.068
where: short stacking energy: -263.137
Base-Backbone interact. energy: 0.007
local terms energy: -277.170391
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -45.819
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: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -826.649883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.649883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.649883 (E_RNA)
where:
Base-Base interactions energy: -570.823
where: short stacking energy: -239.759
Base-Backbone interact. energy: -0.347
local terms energy: -255.479191
where:
bonds (distance) C4'-P energy: -46.342
bonds (distance) P-C4' energy: -39.939
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -46.932
tors. eta vs tors. theta energy: -68.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -832.132394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.132394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.132394 (E_RNA)
where:
Base-Base interactions energy: -565.979
where: short stacking energy: -262.418
Base-Backbone interact. energy: -0.906
local terms energy: -265.247377
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -42.002
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -78.109
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: 95
Temperature: 1.150000
Total energy: -794.621125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.621125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.621125 (E_RNA)
where:
Base-Base interactions energy: -549.385
where: short stacking energy: -239.272
Base-Backbone interact. energy: -0.556
local terms energy: -244.679903
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -56.036
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -61.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -793.654116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.654116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.654116 (E_RNA)
where:
Base-Base interactions energy: -558.643
where: short stacking energy: -223.224
Base-Backbone interact. energy: -0.427
local terms energy: -234.583732
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -48.727
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: -63.503
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -738.610233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.610233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.610233 (E_RNA)
where:
Base-Base interactions energy: -508.742
where: short stacking energy: -216.031
Base-Backbone interact. energy: -0.323
local terms energy: -229.545328
where:
bonds (distance) C4'-P energy: -42.169
bonds (distance) P-C4' energy: -36.131
flat angles C4'-P-C4' energy: -54.956
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -61.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -538.846593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.846593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.846593 (E_RNA)
where:
Base-Base interactions energy: -330.339
where: short stacking energy: -139.612
Base-Backbone interact. energy: -0.495
local terms energy: -208.012531
where:
bonds (distance) C4'-P energy: -47.362
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -35.354
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: 95
Temperature: 1.350000
Total energy: -239.114469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114469 (E_RNA)
where:
Base-Base interactions energy: -101.821
where: short stacking energy: -97.249
Base-Backbone interact. energy: 4.577
local terms energy: -141.870698
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -4.652
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: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -961.352323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.352323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.352323 (E_RNA)
where:
Base-Base interactions energy: -664.539
where: short stacking energy: -300.088
Base-Backbone interact. energy: -1.035
local terms energy: -295.777946
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -59.900
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -89.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -954.544592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.544592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.544592 (E_RNA)
where:
Base-Base interactions energy: -660.390
where: short stacking energy: -283.588
Base-Backbone interact. energy: -0.241
local terms energy: -293.914378
where:
bonds (distance) C4'-P energy: -50.402
bonds (distance) P-C4' energy: -54.524
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -89.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -831.684563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.684563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.684563 (E_RNA)
where:
Base-Base interactions energy: -567.339
where: short stacking energy: -260.859
Base-Backbone interact. energy: 1.158
local terms energy: -265.503659
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -50.878
flat angles C4'-P-C4' energy: -59.796
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -71.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -859.246042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.246042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.246042 (E_RNA)
where:
Base-Base interactions energy: -619.328
where: short stacking energy: -267.655
Base-Backbone interact. energy: -0.819
local terms energy: -239.099208
where:
bonds (distance) C4'-P energy: -38.605
bonds (distance) P-C4' energy: -44.043
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -73.704
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: 96
Temperature: 1.100000
Total energy: -851.088232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.088232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.088232 (E_RNA)
where:
Base-Base interactions energy: -589.698
where: short stacking energy: -260.864
Base-Backbone interact. energy: 0.198
local terms energy: -261.588271
where:
bonds (distance) C4'-P energy: -45.596
bonds (distance) P-C4' energy: -49.301
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -74.892
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -790.676365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.676365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.676365 (E_RNA)
where:
Base-Base interactions energy: -554.343
where: short stacking energy: -239.924
Base-Backbone interact. energy: -0.243
local terms energy: -236.089427
where:
bonds (distance) C4'-P energy: -46.595
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -62.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -809.981428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.981428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.981428 (E_RNA)
where:
Base-Base interactions energy: -561.401
where: short stacking energy: -234.066
Base-Backbone interact. energy: -1.480
local terms energy: -247.100372
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -46.555
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -73.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -718.359668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.359668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.359668 (E_RNA)
where:
Base-Base interactions energy: -480.291
where: short stacking energy: -199.195
Base-Backbone interact. energy: -0.304
local terms energy: -237.764676
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -44.686
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -36.408
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: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -571.402049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.402049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.402049 (E_RNA)
where:
Base-Base interactions energy: -360.705
where: short stacking energy: -165.633
Base-Backbone interact. energy: 0.923
local terms energy: -211.620757
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -46.570
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -37.142
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -239.539363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.539363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.539363 (E_RNA)
where:
Base-Base interactions energy: -85.571
where: short stacking energy: -79.642
Base-Backbone interact. energy: 1.938
local terms energy: -155.907105
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -51.717
flat angles C4'-P-C4' energy: -42.887
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -1.041
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: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -956.416790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.416790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.416790 (E_RNA)
where:
Base-Base interactions energy: -658.879
where: short stacking energy: -288.044
Base-Backbone interact. energy: -2.159
local terms energy: -295.378684
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -51.894
flat angles C4'-P-C4' energy: -60.170
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -89.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -931.195608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.195608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.195608 (E_RNA)
where:
Base-Base interactions energy: -634.467
where: short stacking energy: -273.279
Base-Backbone interact. energy: -0.562
local terms energy: -296.166363
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -59.969
flat angles P-C4'-P energy: -43.795
tors. eta vs tors. theta energy: -83.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -854.950523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.950523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.950523 (E_RNA)
where:
Base-Base interactions energy: -592.713
where: short stacking energy: -268.645
Base-Backbone interact. energy: -0.878
local terms energy: -261.359076
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -70.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -858.719189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.719189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.719189 (E_RNA)
where:
Base-Base interactions energy: -597.064
where: short stacking energy: -249.225
Base-Backbone interact. energy: -0.507
local terms energy: -261.148331
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -66.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -837.965312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.965312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.965312 (E_RNA)
where:
Base-Base interactions energy: -571.601
where: short stacking energy: -251.420
Base-Backbone interact. energy: 0.240
local terms energy: -266.603591
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -61.641
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -78.226
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: 97
Temperature: 1.150000
Total energy: -817.939940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.939940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.939940 (E_RNA)
where:
Base-Base interactions energy: -562.285
where: short stacking energy: -243.980
Base-Backbone interact. energy: 0.674
local terms energy: -256.329542
where:
bonds (distance) C4'-P energy: -46.058
bonds (distance) P-C4' energy: -51.262
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -68.350
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: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -759.287624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.287624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.287624 (E_RNA)
where:
Base-Base interactions energy: -533.030
where: short stacking energy: -224.264
Base-Backbone interact. energy: 2.175
local terms energy: -228.432491
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -51.013
flat angles C4'-P-C4' energy: -49.232
flat angles P-C4'-P energy: -26.093
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: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -713.893989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.893989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.893989 (E_RNA)
where:
Base-Base interactions energy: -494.055
where: short stacking energy: -207.886
Base-Backbone interact. energy: -0.819
local terms energy: -219.020381
where:
bonds (distance) C4'-P energy: -41.274
bonds (distance) P-C4' energy: -41.808
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -52.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -544.221958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.221958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.221958 (E_RNA)
where:
Base-Base interactions energy: -348.003
where: short stacking energy: -181.819
Base-Backbone interact. energy: -1.173
local terms energy: -195.045651
where:
bonds (distance) C4'-P energy: -28.331
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -43.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -222.884034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.884034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.884034 (E_RNA)
where:
Base-Base interactions energy: -69.752
where: short stacking energy: -60.989
Base-Backbone interact. energy: 1.058
local terms energy: -154.190454
where:
bonds (distance) C4'-P energy: -51.495
bonds (distance) P-C4' energy: -44.529
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -2.138
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: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -969.190294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.190294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.190294 (E_RNA)
where:
Base-Base interactions energy: -668.683
where: short stacking energy: -304.839
Base-Backbone interact. energy: -0.000
local terms energy: -300.506726
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -41.966
tors. eta vs tors. theta energy: -90.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -930.176421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.176421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.176421 (E_RNA)
where:
Base-Base interactions energy: -640.460
where: short stacking energy: -283.217
Base-Backbone interact. energy: -0.506
local terms energy: -289.210274
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -54.944
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -81.352
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: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -884.437749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.437749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.437749 (E_RNA)
where:
Base-Base interactions energy: -608.276
where: short stacking energy: -262.625
Base-Backbone interact. energy: 2.071
local terms energy: -278.232780
where:
bonds (distance) C4'-P energy: -54.769
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -65.013
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -81.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -833.285851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.285851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.285851 (E_RNA)
where:
Base-Base interactions energy: -578.817
where: short stacking energy: -254.009
Base-Backbone interact. energy: -0.435
local terms energy: -254.033335
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -56.584
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -64.866
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: 98
Temperature: 1.100000
Total energy: -832.536770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.536770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.536770 (E_RNA)
where:
Base-Base interactions energy: -567.813
where: short stacking energy: -252.273
Base-Backbone interact. energy: -1.121
local terms energy: -263.603112
where:
bonds (distance) C4'-P energy: -43.719
bonds (distance) P-C4' energy: -55.697
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: -75.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -812.930675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.930675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.930675 (E_RNA)
where:
Base-Base interactions energy: -559.111
where: short stacking energy: -230.956
Base-Backbone interact. energy: -1.833
local terms energy: -251.986658
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -39.614
tors. eta vs tors. theta energy: -67.218
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -762.354718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.354718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.354718 (E_RNA)
where:
Base-Base interactions energy: -523.314
where: short stacking energy: -216.786
Base-Backbone interact. energy: -1.149
local terms energy: -237.891158
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -52.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -729.727461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.727461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.727461 (E_RNA)
where:
Base-Base interactions energy: -493.821
where: short stacking energy: -212.489
Base-Backbone interact. energy: -1.024
local terms energy: -234.881600
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -53.190
flat angles C4'-P-C4' energy: -44.852
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -61.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -501.471591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.471591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.471591 (E_RNA)
where:
Base-Base interactions energy: -322.791
where: short stacking energy: -157.009
Base-Backbone interact. energy: 0.876
local terms energy: -179.556600
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -37.245
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: 98
Temperature: 1.350000
Total energy: -212.975658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.975658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975658 (E_RNA)
where:
Base-Base interactions energy: -68.301
where: short stacking energy: -56.803
Base-Backbone interact. energy: -1.321
local terms energy: -143.354164
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -48.829
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: 10.204
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: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -974.651750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.651750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.651750 (E_RNA)
where:
Base-Base interactions energy: -661.311
where: short stacking energy: -294.378
Base-Backbone interact. energy: -0.556
local terms energy: -312.784968
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -59.554
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -44.984
tors. eta vs tors. theta energy: -88.634
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: 99
Temperature: 0.950000
Total energy: -938.869222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.869222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.869222 (E_RNA)
where:
Base-Base interactions energy: -643.037
where: short stacking energy: -282.725
Base-Backbone interact. energy: -0.437
local terms energy: -295.395177
where:
bonds (distance) C4'-P energy: -53.900
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -59.681
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -84.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -883.469424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.469424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.469424 (E_RNA)
where:
Base-Base interactions energy: -618.187
where: short stacking energy: -253.874
Base-Backbone interact. energy: -1.301
local terms energy: -263.981262
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -68.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -846.434173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.434173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.434173 (E_RNA)
where:
Base-Base interactions energy: -581.087
where: short stacking energy: -253.198
Base-Backbone interact. energy: -0.173
local terms energy: -265.174749
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -68.499
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: 99
Temperature: 1.100000
Total energy: -858.675341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.675341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.675341 (E_RNA)
where:
Base-Base interactions energy: -593.465
where: short stacking energy: -265.393
Base-Backbone interact. energy: 1.303
local terms energy: -266.513383
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -52.776
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -82.727
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: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -784.339107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.339107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.339107 (E_RNA)
where:
Base-Base interactions energy: -540.232
where: short stacking energy: -227.367
Base-Backbone interact. energy: -0.848
local terms energy: -243.259245
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -46.308
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -66.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -791.196791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.196791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.196791 (E_RNA)
where:
Base-Base interactions energy: -556.876
where: short stacking energy: -224.735
Base-Backbone interact. energy: -0.679
local terms energy: -233.641367
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -42.470
flat angles C4'-P-C4' energy: -50.791
flat angles P-C4'-P energy: -40.112
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -736.755600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.755600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.755600 (E_RNA)
where:
Base-Base interactions energy: -516.212
where: short stacking energy: -229.042
Base-Backbone interact. energy: -1.415
local terms energy: -219.128020
where:
bonds (distance) C4'-P energy: -43.344
bonds (distance) P-C4' energy: -41.380
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -60.338
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: 99
Temperature: 1.300000
Total energy: -518.501695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.501695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.501695 (E_RNA)
where:
Base-Base interactions energy: -329.304
where: short stacking energy: -151.018
Base-Backbone interact. energy: 0.198
local terms energy: -189.395427
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -28.616
tors. eta vs tors. theta energy: -33.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -218.560558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.560558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.560558 (E_RNA)
where:
Base-Base interactions energy: -61.032
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.930
local terms energy: -156.598561
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -41.186
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: 7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -950.413731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.413731 (E_RNA)
where:
Base-Base interactions energy: -646.415
where: short stacking energy: -282.469
Base-Backbone interact. energy: -1.047
local terms energy: -302.951670
where:
bonds (distance) C4'-P energy: -52.191
bonds (distance) P-C4' energy: -57.200
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -89.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -955.016329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.016329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.016329 (E_RNA)
where:
Base-Base interactions energy: -670.739
where: short stacking energy: -292.151
Base-Backbone interact. energy: -0.616
local terms energy: -283.661754
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -50.902
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -84.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -861.310814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.310814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.310814 (E_RNA)
where:
Base-Base interactions energy: -616.488
where: short stacking energy: -259.031
Base-Backbone interact. energy: -2.194
local terms energy: -242.628169
where:
bonds (distance) C4'-P energy: -31.619
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -70.482
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: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -884.647208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.647208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.647208 (E_RNA)
where:
Base-Base interactions energy: -611.351
where: short stacking energy: -273.720
Base-Backbone interact. energy: -0.705
local terms energy: -272.591249
where:
bonds (distance) C4'-P energy: -44.292
bonds (distance) P-C4' energy: -56.425
flat angles C4'-P-C4' energy: -52.406
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -82.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -790.334100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.334100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.334100 (E_RNA)
where:
Base-Base interactions energy: -537.040
where: short stacking energy: -238.155
Base-Backbone interact. energy: -1.426
local terms energy: -251.868031
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -46.666
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -69.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -822.814186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.814186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.814186 (E_RNA)
where:
Base-Base interactions energy: -560.447
where: short stacking energy: -242.433
Base-Backbone interact. energy: -0.694
local terms energy: -261.673458
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -71.488
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: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -758.437241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.437241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.437241 (E_RNA)
where:
Base-Base interactions energy: -510.424
where: short stacking energy: -218.585
Base-Backbone interact. energy: -0.260
local terms energy: -247.753409
where:
bonds (distance) C4'-P energy: -51.892
bonds (distance) P-C4' energy: -43.068
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -63.916
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: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -778.272577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.272577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.272577 (E_RNA)
where:
Base-Base interactions energy: -533.081
where: short stacking energy: -212.502
Base-Backbone interact. energy: -0.508
local terms energy: -244.683531
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: -58.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -556.317166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.317166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.317166 (E_RNA)
where:
Base-Base interactions energy: -365.659
where: short stacking energy: -163.963
Base-Backbone interact. energy: -1.492
local terms energy: -189.166035
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -42.301
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -36.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -236.010532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.010532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.010532 (E_RNA)
where:
Base-Base interactions energy: -77.953
where: short stacking energy: -50.671
Base-Backbone interact. energy: 3.775
local terms energy: -161.832364
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: 8.665
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: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -964.675032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.675032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.675032 (E_RNA)
where:
Base-Base interactions energy: -670.168
where: short stacking energy: -292.578
Base-Backbone interact. energy: 0.846
local terms energy: -295.352750
where:
bonds (distance) C4'-P energy: -51.088
bonds (distance) P-C4' energy: -62.314
flat angles C4'-P-C4' energy: -54.565
flat angles P-C4'-P energy: -43.652
tors. eta vs tors. theta energy: -83.733
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: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -939.388176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.388176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.388176 (E_RNA)
where:
Base-Base interactions energy: -660.697
where: short stacking energy: -292.139
Base-Backbone interact. energy: -0.074
local terms energy: -278.616914
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -81.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -867.082513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.082513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.082513 (E_RNA)
where:
Base-Base interactions energy: -591.678
where: short stacking energy: -261.706
Base-Backbone interact. energy: -0.181
local terms energy: -275.223750
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -70.919
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -806.201625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.201625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.201625 (E_RNA)
where:
Base-Base interactions energy: -548.847
where: short stacking energy: -228.006
Base-Backbone interact. energy: -0.575
local terms energy: -256.779587
where:
bonds (distance) C4'-P energy: -48.547
bonds (distance) P-C4' energy: -52.885
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -62.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -859.588196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.588196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.588196 (E_RNA)
where:
Base-Base interactions energy: -603.126
where: short stacking energy: -253.733
Base-Backbone interact. energy: -0.304
local terms energy: -256.157842
where:
bonds (distance) C4'-P energy: -52.564
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -30.075
tors. eta vs tors. theta energy: -72.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -812.049644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.049644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.049644 (E_RNA)
where:
Base-Base interactions energy: -565.686
where: short stacking energy: -239.047
Base-Backbone interact. energy: 1.220
local terms energy: -247.584230
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -50.039
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -71.425
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: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -750.187513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.187513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.187513 (E_RNA)
where:
Base-Base interactions energy: -497.874
where: short stacking energy: -199.826
Base-Backbone interact. energy: -1.260
local terms energy: -251.053534
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -65.131
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -757.418063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.418063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.418063 (E_RNA)
where:
Base-Base interactions energy: -512.768
where: short stacking energy: -214.440
Base-Backbone interact. energy: 5.150
local terms energy: -249.800534
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -61.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -553.025827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.025827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.025827 (E_RNA)
where:
Base-Base interactions energy: -367.651
where: short stacking energy: -175.872
Base-Backbone interact. energy: -0.735
local terms energy: -184.640167
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -36.805
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: 101
Temperature: 1.350000
Total energy: -250.221777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.221777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.221777 (E_RNA)
where:
Base-Base interactions energy: -99.048
where: short stacking energy: -69.304
Base-Backbone interact. energy: -2.157
local terms energy: -149.016422
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: 10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -995.899113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.899113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.899113 (E_RNA)
where:
Base-Base interactions energy: -689.528
where: short stacking energy: -299.897
Base-Backbone interact. energy: -1.257
local terms energy: -305.113934
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -68.201
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -91.034
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: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -946.198172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.198172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.198172 (E_RNA)
where:
Base-Base interactions energy: -658.277
where: short stacking energy: -283.024
Base-Backbone interact. energy: -1.217
local terms energy: -286.703969
where:
bonds (distance) C4'-P energy: -49.786
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -81.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -862.368536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.368536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.368536 (E_RNA)
where:
Base-Base interactions energy: -591.018
where: short stacking energy: -261.002
Base-Backbone interact. energy: -0.475
local terms energy: -270.875504
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -44.103
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -73.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -827.088852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.088852 (E_RNA)
where:
Base-Base interactions energy: -571.846
where: short stacking energy: -248.985
Base-Backbone interact. energy: -0.769
local terms energy: -254.473349
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -61.079
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -65.232
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: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -858.595372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.595372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.595372 (E_RNA)
where:
Base-Base interactions energy: -603.260
where: short stacking energy: -237.704
Base-Backbone interact. energy: -1.163
local terms energy: -254.172716
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -64.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -814.235191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.235191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.235191 (E_RNA)
where:
Base-Base interactions energy: -558.373
where: short stacking energy: -231.440
Base-Backbone interact. energy: -1.347
local terms energy: -254.515858
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -66.394
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: 102
Temperature: 1.200000
Total energy: -753.254819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.254819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.254819 (E_RNA)
where:
Base-Base interactions energy: -524.989
where: short stacking energy: -209.914
Base-Backbone interact. energy: 2.391
local terms energy: -230.656654
where:
bonds (distance) C4'-P energy: -46.190
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -49.102
flat angles P-C4'-P energy: -41.498
tors. eta vs tors. theta energy: -59.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -759.698997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.698997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.698997 (E_RNA)
where:
Base-Base interactions energy: -537.617
where: short stacking energy: -230.494
Base-Backbone interact. energy: -1.353
local terms energy: -220.728704
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -48.951
flat angles C4'-P-C4' energy: -49.357
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -58.483
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: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -570.075655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.075655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.075655 (E_RNA)
where:
Base-Base interactions energy: -390.812
where: short stacking energy: -160.721
Base-Backbone interact. energy: -0.452
local terms energy: -178.812142
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -39.241
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -33.148
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: 102
Temperature: 1.350000
Total energy: -242.079666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.079666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.079666 (E_RNA)
where:
Base-Base interactions energy: -83.602
where: short stacking energy: -72.198
Base-Backbone interact. energy: 0.755
local terms energy: -159.233499
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -39.906
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: 5.495
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: 103
Temperature: 0.900000
Total energy: -976.026143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.026143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.026143 (E_RNA)
where:
Base-Base interactions energy: -673.062
where: short stacking energy: -297.204
Base-Backbone interact. energy: -0.736
local terms energy: -302.228537
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -93.046
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: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -954.954375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.954375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.954375 (E_RNA)
where:
Base-Base interactions energy: -662.763
where: short stacking energy: -288.168
Base-Backbone interact. energy: -0.437
local terms energy: -291.754840
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -65.358
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -85.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -869.220281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.220281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.220281 (E_RNA)
where:
Base-Base interactions energy: -600.252
where: short stacking energy: -252.837
Base-Backbone interact. energy: -0.703
local terms energy: -268.266023
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -70.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -864.415730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.415730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.415730 (E_RNA)
where:
Base-Base interactions energy: -599.161
where: short stacking energy: -259.798
Base-Backbone interact. energy: -0.275
local terms energy: -264.979219
where:
bonds (distance) C4'-P energy: -43.345
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -51.305
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -78.092
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: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -803.169459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.169459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.169459 (E_RNA)
where:
Base-Base interactions energy: -544.942
where: short stacking energy: -228.692
Base-Backbone interact. energy: -1.227
local terms energy: -257.000024
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -63.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -838.738848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.738848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.738848 (E_RNA)
where:
Base-Base interactions energy: -573.665
where: short stacking energy: -254.896
Base-Backbone interact. energy: -1.128
local terms energy: -263.945694
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -47.309
flat angles C4'-P-C4' energy: -57.339
flat angles P-C4'-P energy: -45.340
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -733.344459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.344459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.344459 (E_RNA)
where:
Base-Base interactions energy: -490.452
where: short stacking energy: -218.324
Base-Backbone interact. energy: -1.367
local terms energy: -241.524907
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -60.659
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: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -761.507730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.507730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.507730 (E_RNA)
where:
Base-Base interactions energy: -527.968
where: short stacking energy: -225.425
Base-Backbone interact. energy: -0.986
local terms energy: -232.553967
where:
bonds (distance) C4'-P energy: -39.440
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -35.882
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -574.561581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.561581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.561581 (E_RNA)
where:
Base-Base interactions energy: -376.886
where: short stacking energy: -164.058
Base-Backbone interact. energy: -1.658
local terms energy: -196.017569
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -213.703943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.703943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.703943 (E_RNA)
where:
Base-Base interactions energy: -76.514
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.232
local terms energy: -136.957630
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -40.717
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: 7.798
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: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -971.799153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.799153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.799153 (E_RNA)
where:
Base-Base interactions energy: -675.038
where: short stacking energy: -288.328
Base-Backbone interact. energy: -0.704
local terms energy: -296.057373
where:
bonds (distance) C4'-P energy: -49.604
bonds (distance) P-C4' energy: -55.143
flat angles C4'-P-C4' energy: -61.130
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -89.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -951.071840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.071840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.071840 (E_RNA)
where:
Base-Base interactions energy: -663.925
where: short stacking energy: -288.970
Base-Backbone interact. energy: -0.594
local terms energy: -286.553676
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -61.781
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -88.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -902.194509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.194509 (E_RNA)
where:
Base-Base interactions energy: -621.869
where: short stacking energy: -263.391
Base-Backbone interact. energy: -1.538
local terms energy: -278.787859
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -53.020
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -37.917
tors. eta vs tors. theta energy: -74.664
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: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -833.285798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.285798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.285798 (E_RNA)
where:
Base-Base interactions energy: -583.250
where: short stacking energy: -251.929
Base-Backbone interact. energy: 0.731
local terms energy: -250.766376
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -76.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -806.860077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.860077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.860077 (E_RNA)
where:
Base-Base interactions energy: -541.689
where: short stacking energy: -231.473
Base-Backbone interact. energy: -1.770
local terms energy: -263.400873
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -53.341
flat angles C4'-P-C4' energy: -55.222
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -62.750
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: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -762.032274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.032274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.032274 (E_RNA)
where:
Base-Base interactions energy: -523.703
where: short stacking energy: -209.575
Base-Backbone interact. energy: -1.467
local terms energy: -236.862003
where:
bonds (distance) C4'-P energy: -40.100
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -54.325
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -63.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -783.450928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.450928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.450928 (E_RNA)
where:
Base-Base interactions energy: -546.893
where: short stacking energy: -219.768
Base-Backbone interact. energy: -1.289
local terms energy: -235.269871
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -54.770
flat angles C4'-P-C4' energy: -54.062
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -53.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -709.721166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.721166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.721166 (E_RNA)
where:
Base-Base interactions energy: -479.696
where: short stacking energy: -215.334
Base-Backbone interact. energy: -1.405
local terms energy: -228.620244
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -49.635
flat angles C4'-P-C4' energy: -47.682
flat angles P-C4'-P energy: -32.257
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -556.785698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.785698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.785698 (E_RNA)
where:
Base-Base interactions energy: -372.478
where: short stacking energy: -177.746
Base-Backbone interact. energy: -0.777
local terms energy: -183.530035
where:
bonds (distance) C4'-P energy: -42.274
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -42.865
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -38.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -217.448225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.448225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.448225 (E_RNA)
where:
Base-Base interactions energy: -72.639
where: short stacking energy: -68.430
Base-Backbone interact. energy: 0.506
local terms energy: -145.316057
where:
bonds (distance) C4'-P energy: -54.718
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: 7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -976.142625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.142625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.142625 (E_RNA)
where:
Base-Base interactions energy: -682.392
where: short stacking energy: -287.645
Base-Backbone interact. energy: 0.533
local terms energy: -294.283895
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -92.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -956.505058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.505058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.505058 (E_RNA)
where:
Base-Base interactions energy: -661.012
where: short stacking energy: -288.902
Base-Backbone interact. energy: -1.140
local terms energy: -294.352680
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -88.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -903.914941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.914941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.914941 (E_RNA)
where:
Base-Base interactions energy: -632.834
where: short stacking energy: -277.928
Base-Backbone interact. energy: 0.133
local terms energy: -271.213969
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -57.278
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -74.993
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: 105
Temperature: 1.050000
Total energy: -882.239807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.239807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.239807 (E_RNA)
where:
Base-Base interactions energy: -612.230
where: short stacking energy: -280.882
Base-Backbone interact. energy: -0.407
local terms energy: -269.602366
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -45.790
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -822.072425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.072425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.072425 (E_RNA)
where:
Base-Base interactions energy: -568.849
where: short stacking energy: -249.167
Base-Backbone interact. energy: 4.617
local terms energy: -257.841250
where:
bonds (distance) C4'-P energy: -52.443
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -60.108
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: -68.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -778.509520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.509520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.509520 (E_RNA)
where:
Base-Base interactions energy: -548.597
where: short stacking energy: -239.894
Base-Backbone interact. energy: 1.441
local terms energy: -231.353530
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -43.520
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: -61.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -824.314080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.314080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.314080 (E_RNA)
where:
Base-Base interactions energy: -567.308
where: short stacking energy: -245.211
Base-Backbone interact. energy: -0.322
local terms energy: -256.684635
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -34.427
tors. eta vs tors. theta energy: -77.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -698.052124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.052124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.052124 (E_RNA)
where:
Base-Base interactions energy: -461.587
where: short stacking energy: -204.350
Base-Backbone interact. energy: 0.155
local terms energy: -236.620090
where:
bonds (distance) C4'-P energy: -44.870
bonds (distance) P-C4' energy: -49.685
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -64.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -588.210414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.210414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.210414 (E_RNA)
where:
Base-Base interactions energy: -391.386
where: short stacking energy: -161.891
Base-Backbone interact. energy: -0.359
local terms energy: -196.464930
where:
bonds (distance) C4'-P energy: -37.125
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -45.616
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -33.825
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: 105
Temperature: 1.350000
Total energy: -230.797707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.797707 (E_RNA)
where:
Base-Base interactions energy: -89.466
where: short stacking energy: -67.665
Base-Backbone interact. energy: 1.767
local terms energy: -143.098806
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: 9.403
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: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -985.139539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.139539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.139539 (E_RNA)
where:
Base-Base interactions energy: -684.996
where: short stacking energy: -293.610
Base-Backbone interact. energy: -0.837
local terms energy: -299.306078
where:
bonds (distance) C4'-P energy: -55.317
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -89.264
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: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -932.092451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.092451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.092451 (E_RNA)
where:
Base-Base interactions energy: -654.682
where: short stacking energy: -272.561
Base-Backbone interact. energy: -0.540
local terms energy: -276.871263
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -78.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -904.395063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.395063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.395063 (E_RNA)
where:
Base-Base interactions energy: -624.227
where: short stacking energy: -276.767
Base-Backbone interact. energy: 0.272
local terms energy: -280.440709
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -46.588
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -78.990
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: 106
Temperature: 1.050000
Total energy: -845.946237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.946237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.946237 (E_RNA)
where:
Base-Base interactions energy: -582.757
where: short stacking energy: -245.156
Base-Backbone interact. energy: 0.421
local terms energy: -263.610517
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -54.166
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -28.649
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -829.758196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.758196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.758196 (E_RNA)
where:
Base-Base interactions energy: -569.826
where: short stacking energy: -260.722
Base-Backbone interact. energy: -0.360
local terms energy: -259.572426
where:
bonds (distance) C4'-P energy: -43.257
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: -72.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -776.049832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.049832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.049832 (E_RNA)
where:
Base-Base interactions energy: -533.038
where: short stacking energy: -232.274
Base-Backbone interact. energy: 1.649
local terms energy: -244.661076
where:
bonds (distance) C4'-P energy: -42.605
bonds (distance) P-C4' energy: -50.379
flat angles C4'-P-C4' energy: -49.203
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -68.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -757.715129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.715129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.715129 (E_RNA)
where:
Base-Base interactions energy: -535.028
where: short stacking energy: -230.843
Base-Backbone interact. energy: -1.138
local terms energy: -221.549458
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -46.722
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -63.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -686.212478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.212478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.212478 (E_RNA)
where:
Base-Base interactions energy: -471.624
where: short stacking energy: -204.360
Base-Backbone interact. energy: -0.003
local terms energy: -214.585198
where:
bonds (distance) C4'-P energy: -41.362
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -43.763
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -589.213992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.213992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.213992 (E_RNA)
where:
Base-Base interactions energy: -402.987
where: short stacking energy: -163.142
Base-Backbone interact. energy: -0.893
local terms energy: -185.334145
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -22.366
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: 106
Temperature: 1.350000
Total energy: -227.620738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620738 (E_RNA)
where:
Base-Base interactions energy: -74.960
where: short stacking energy: -68.885
Base-Backbone interact. energy: -0.998
local terms energy: -151.662381
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: 15.118
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -970.540972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.540972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.540972 (E_RNA)
where:
Base-Base interactions energy: -677.581
where: short stacking energy: -276.179
Base-Backbone interact. energy: -0.732
local terms energy: -292.227549
where:
bonds (distance) C4'-P energy: -57.535
bonds (distance) P-C4' energy: -51.544
flat angles C4'-P-C4' energy: -61.584
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -83.223
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -943.964525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.964525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.964525 (E_RNA)
where:
Base-Base interactions energy: -656.795
where: short stacking energy: -282.730
Base-Backbone interact. energy: -0.327
local terms energy: -286.841989
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -55.046
flat angles P-C4'-P energy: -46.392
tors. eta vs tors. theta energy: -83.103
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -899.354653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.354653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.354653 (E_RNA)
where:
Base-Base interactions energy: -625.212
where: short stacking energy: -261.152
Base-Backbone interact. energy: -0.267
local terms energy: -273.875132
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -50.573
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -79.078
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: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -835.018576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.018576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.018576 (E_RNA)
where:
Base-Base interactions energy: -571.204
where: short stacking energy: -238.923
Base-Backbone interact. energy: 1.439
local terms energy: -265.252790
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -54.059
flat angles C4'-P-C4' energy: -55.317
flat angles P-C4'-P energy: -37.675
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -811.328223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.328223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.328223 (E_RNA)
where:
Base-Base interactions energy: -552.579
where: short stacking energy: -228.046
Base-Backbone interact. energy: 0.939
local terms energy: -259.688391
where:
bonds (distance) C4'-P energy: -38.770
bonds (distance) P-C4' energy: -59.646
flat angles C4'-P-C4' energy: -58.058
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -61.410
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: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -784.590817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.590817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.590817 (E_RNA)
where:
Base-Base interactions energy: -533.629
where: short stacking energy: -224.192
Base-Backbone interact. energy: 2.272
local terms energy: -253.233867
where:
bonds (distance) C4'-P energy: -49.465
bonds (distance) P-C4' energy: -51.712
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -66.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -767.653669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.653669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.653669 (E_RNA)
where:
Base-Base interactions energy: -516.406
where: short stacking energy: -220.108
Base-Backbone interact. energy: -0.099
local terms energy: -251.148498
where:
bonds (distance) C4'-P energy: -56.543
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -68.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -699.592003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.592003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.592003 (E_RNA)
where:
Base-Base interactions energy: -467.391
where: short stacking energy: -204.815
Base-Backbone interact. energy: -0.643
local terms energy: -231.558869
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -53.077
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -53.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -566.167642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.167642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.167642 (E_RNA)
where:
Base-Base interactions energy: -355.107
where: short stacking energy: -153.939
Base-Backbone interact. energy: 0.293
local terms energy: -211.353655
where:
bonds (distance) C4'-P energy: -53.822
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -45.670
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -208.247178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.247178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.247178 (E_RNA)
where:
Base-Base interactions energy: -78.465
where: short stacking energy: -77.927
Base-Backbone interact. energy: -1.571
local terms energy: -128.210826
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -981.633815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.633815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.633815 (E_RNA)
where:
Base-Base interactions energy: -687.547
where: short stacking energy: -292.877
Base-Backbone interact. energy: 0.497
local terms energy: -294.583941
where:
bonds (distance) C4'-P energy: -53.332
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -84.391
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -970.855667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.855667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.855667 (E_RNA)
where:
Base-Base interactions energy: -679.052
where: short stacking energy: -290.716
Base-Backbone interact. energy: 2.131
local terms energy: -293.935093
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -53.915
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -86.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -897.874451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.874451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.874451 (E_RNA)
where:
Base-Base interactions energy: -637.513
where: short stacking energy: -257.451
Base-Backbone interact. energy: -0.551
local terms energy: -259.809884
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -53.860
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -74.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -842.992631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.992631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.992631 (E_RNA)
where:
Base-Base interactions energy: -576.342
where: short stacking energy: -257.263
Base-Backbone interact. energy: -0.200
local terms energy: -266.451159
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -72.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -844.139136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.139136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.139136 (E_RNA)
where:
Base-Base interactions energy: -575.278
where: short stacking energy: -238.545
Base-Backbone interact. energy: -0.545
local terms energy: -268.316041
where:
bonds (distance) C4'-P energy: -57.600
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -69.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -791.042834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.042834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.042834 (E_RNA)
where:
Base-Base interactions energy: -550.569
where: short stacking energy: -237.736
Base-Backbone interact. energy: 0.532
local terms energy: -241.006136
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -70.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -709.958237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.958237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.958237 (E_RNA)
where:
Base-Base interactions energy: -480.648
where: short stacking energy: -229.408
Base-Backbone interact. energy: -0.211
local terms energy: -229.098916
where:
bonds (distance) C4'-P energy: -45.284
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -56.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -736.696312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.696312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.696312 (E_RNA)
where:
Base-Base interactions energy: -498.823
where: short stacking energy: -201.251
Base-Backbone interact. energy: -0.661
local terms energy: -237.212680
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -49.498
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -55.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -515.628298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.628298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.628298 (E_RNA)
where:
Base-Base interactions energy: -316.726
where: short stacking energy: -154.766
Base-Backbone interact. energy: 1.231
local terms energy: -200.133521
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -38.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -219.092452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.092452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.092452 (E_RNA)
where:
Base-Base interactions energy: -78.882
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.582
local terms energy: -139.628567
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -40.723
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -981.362522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.362522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.362522 (E_RNA)
where:
Base-Base interactions energy: -687.566
where: short stacking energy: -288.774
Base-Backbone interact. energy: 1.225
local terms energy: -295.022158
where:
bonds (distance) C4'-P energy: -53.779
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -42.274
tors. eta vs tors. theta energy: -85.199
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: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -960.162427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.162427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.162427 (E_RNA)
where:
Base-Base interactions energy: -680.827
where: short stacking energy: -290.999
Base-Backbone interact. energy: -0.948
local terms energy: -278.387388
where:
bonds (distance) C4'-P energy: -43.381
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -63.060
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -85.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -905.317212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.317212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.317212 (E_RNA)
where:
Base-Base interactions energy: -648.434
where: short stacking energy: -278.013
Base-Backbone interact. energy: -0.775
local terms energy: -256.107768
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -59.648
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -78.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -852.201120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.201120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.201120 (E_RNA)
where:
Base-Base interactions energy: -578.730
where: short stacking energy: -245.925
Base-Backbone interact. energy: -0.934
local terms energy: -272.536360
where:
bonds (distance) C4'-P energy: -54.583
bonds (distance) P-C4' energy: -43.355
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -81.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -823.694263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.694263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.694263 (E_RNA)
where:
Base-Base interactions energy: -555.393
where: short stacking energy: -245.213
Base-Backbone interact. energy: -1.832
local terms energy: -266.469455
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -68.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -765.838190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.838190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.838190 (E_RNA)
where:
Base-Base interactions energy: -528.133
where: short stacking energy: -221.822
Base-Backbone interact. energy: -0.221
local terms energy: -237.484275
where:
bonds (distance) C4'-P energy: -48.249
bonds (distance) P-C4' energy: -44.189
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -53.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -742.962480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.962480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.962480 (E_RNA)
where:
Base-Base interactions energy: -506.959
where: short stacking energy: -208.656
Base-Backbone interact. energy: 0.307
local terms energy: -236.310452
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: -54.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -712.409080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.409080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.409080 (E_RNA)
where:
Base-Base interactions energy: -496.619
where: short stacking energy: -210.754
Base-Backbone interact. energy: 1.440
local terms energy: -217.229477
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -51.240
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -50.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -522.118894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.118894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.118894 (E_RNA)
where:
Base-Base interactions energy: -333.818
where: short stacking energy: -145.719
Base-Backbone interact. energy: 1.130
local terms energy: -189.431471
where:
bonds (distance) C4'-P energy: -39.710
bonds (distance) P-C4' energy: -43.851
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -31.754
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: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -263.651257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.651257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.651257 (E_RNA)
where:
Base-Base interactions energy: -112.145
where: short stacking energy: -56.040
Base-Backbone interact. energy: 1.104
local terms energy: -152.609677
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -978.861854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.861854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.861854 (E_RNA)
where:
Base-Base interactions energy: -692.401
where: short stacking energy: -300.681
Base-Backbone interact. energy: -1.144
local terms energy: -285.317621
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -53.877
flat angles C4'-P-C4' energy: -60.602
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -84.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -952.949992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.949992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.949992 (E_RNA)
where:
Base-Base interactions energy: -661.259
where: short stacking energy: -286.059
Base-Backbone interact. energy: 0.417
local terms energy: -292.108053
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -61.403
flat angles P-C4'-P energy: -44.339
tors. eta vs tors. theta energy: -81.850
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: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -915.675121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.675121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.675121 (E_RNA)
where:
Base-Base interactions energy: -646.589
where: short stacking energy: -274.413
Base-Backbone interact. energy: -0.513
local terms energy: -268.573443
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -83.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -853.156403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.156403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.156403 (E_RNA)
where:
Base-Base interactions energy: -586.087
where: short stacking energy: -259.745
Base-Backbone interact. energy: -0.621
local terms energy: -266.448512
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -69.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -762.798076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.798076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.798076 (E_RNA)
where:
Base-Base interactions energy: -530.520
where: short stacking energy: -227.885
Base-Backbone interact. energy: -1.181
local terms energy: -231.097423
where:
bonds (distance) C4'-P energy: -41.167
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -60.516
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -778.607116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.607116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.607116 (E_RNA)
where:
Base-Base interactions energy: -527.060
where: short stacking energy: -221.917
Base-Backbone interact. energy: -0.964
local terms energy: -250.582434
where:
bonds (distance) C4'-P energy: -51.162
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -63.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -746.000148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.000148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.000148 (E_RNA)
where:
Base-Base interactions energy: -507.538
where: short stacking energy: -199.755
Base-Backbone interact. energy: -0.987
local terms energy: -237.475151
where:
bonds (distance) C4'-P energy: -42.644
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -35.258
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -745.985585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.985585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.985585 (E_RNA)
where:
Base-Base interactions energy: -500.402
where: short stacking energy: -202.266
Base-Backbone interact. energy: -1.506
local terms energy: -244.077828
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -45.315
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -59.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -498.652657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.652657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.652657 (E_RNA)
where:
Base-Base interactions energy: -323.972
where: short stacking energy: -132.661
Base-Backbone interact. energy: -0.211
local terms energy: -174.469280
where:
bonds (distance) C4'-P energy: -41.262
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -230.450012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.450012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.450012 (E_RNA)
where:
Base-Base interactions energy: -77.314
where: short stacking energy: -75.004
Base-Backbone interact. energy: 0.816
local terms energy: -153.952731
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -4.859
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: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -958.745912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.745912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.745912 (E_RNA)
where:
Base-Base interactions energy: -656.367
where: short stacking energy: -271.369
Base-Backbone interact. energy: -0.623
local terms energy: -301.755971
where:
bonds (distance) C4'-P energy: -53.826
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -81.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -942.675045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.675045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.675045 (E_RNA)
where:
Base-Base interactions energy: -658.140
where: short stacking energy: -281.827
Base-Backbone interact. energy: -0.950
local terms energy: -283.584872
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -54.770
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -81.898
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: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -907.783673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.783673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.783673 (E_RNA)
where:
Base-Base interactions energy: -644.789
where: short stacking energy: -269.914
Base-Backbone interact. energy: 0.694
local terms energy: -263.689136
where:
bonds (distance) C4'-P energy: -46.280
bonds (distance) P-C4' energy: -54.022
flat angles C4'-P-C4' energy: -51.075
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -79.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -862.022008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.022008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.022008 (E_RNA)
where:
Base-Base interactions energy: -593.848
where: short stacking energy: -267.628
Base-Backbone interact. energy: 0.457
local terms energy: -268.630786
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -51.587
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -78.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -764.958820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.958820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.958820 (E_RNA)
where:
Base-Base interactions energy: -525.255
where: short stacking energy: -222.439
Base-Backbone interact. energy: -1.350
local terms energy: -238.353342
where:
bonds (distance) C4'-P energy: -42.188
bonds (distance) P-C4' energy: -43.891
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -59.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -782.355234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.355234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.355234 (E_RNA)
where:
Base-Base interactions energy: -542.627
where: short stacking energy: -228.310
Base-Backbone interact. energy: -0.792
local terms energy: -238.936590
where:
bonds (distance) C4'-P energy: -46.506
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -65.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -749.731498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.731498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.731498 (E_RNA)
where:
Base-Base interactions energy: -518.517
where: short stacking energy: -217.535
Base-Backbone interact. energy: -1.028
local terms energy: -230.186534
where:
bonds (distance) C4'-P energy: -41.934
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -51.716
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -58.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -742.054763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.054763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.054763 (E_RNA)
where:
Base-Base interactions energy: -508.836
where: short stacking energy: -217.983
Base-Backbone interact. energy: 0.897
local terms energy: -234.116111
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -44.084
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -59.996
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: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -487.392391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.392391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.392391 (E_RNA)
where:
Base-Base interactions energy: -298.557
where: short stacking energy: -140.332
Base-Backbone interact. energy: -1.210
local terms energy: -187.625504
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -52.921
flat angles P-C4'-P energy: -32.858
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -221.131239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131239 (E_RNA)
where:
Base-Base interactions energy: -79.828
where: short stacking energy: -60.635
Base-Backbone interact. energy: 0.443
local terms energy: -141.745616
where:
bonds (distance) C4'-P energy: -44.995
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: 14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -960.625747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.625747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.625747 (E_RNA)
where:
Base-Base interactions energy: -669.040
where: short stacking energy: -273.265
Base-Backbone interact. energy: -0.401
local terms energy: -291.184421
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -66.064
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -81.414
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: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -941.587628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.587628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.587628 (E_RNA)
where:
Base-Base interactions energy: -659.557
where: short stacking energy: -279.521
Base-Backbone interact. energy: 2.299
local terms energy: -284.329219
where:
bonds (distance) C4'-P energy: -57.380
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -85.163
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: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -894.772335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.772335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.772335 (E_RNA)
where:
Base-Base interactions energy: -605.780
where: short stacking energy: -253.047
Base-Backbone interact. energy: -1.134
local terms energy: -287.858835
where:
bonds (distance) C4'-P energy: -60.085
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -53.833
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: -76.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -836.515504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.515504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.515504 (E_RNA)
where:
Base-Base interactions energy: -565.169
where: short stacking energy: -241.621
Base-Backbone interact. energy: -0.459
local terms energy: -270.887989
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -48.227
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -69.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -825.744874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.744874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.744874 (E_RNA)
where:
Base-Base interactions energy: -558.892
where: short stacking energy: -250.448
Base-Backbone interact. energy: -0.232
local terms energy: -266.621218
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -50.173
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -79.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -763.510614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.510614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.510614 (E_RNA)
where:
Base-Base interactions energy: -536.853
where: short stacking energy: -225.810
Base-Backbone interact. energy: -0.916
local terms energy: -225.741145
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -48.849
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -55.229
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: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -765.516393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.516393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.516393 (E_RNA)
where:
Base-Base interactions energy: -522.992
where: short stacking energy: -230.886
Base-Backbone interact. energy: -0.380
local terms energy: -242.144467
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -50.417
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -57.994
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -729.087571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.087571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.087571 (E_RNA)
where:
Base-Base interactions energy: -507.953
where: short stacking energy: -215.271
Base-Backbone interact. energy: -0.063
local terms energy: -221.071369
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -61.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -479.925286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.925286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.925286 (E_RNA)
where:
Base-Base interactions energy: -285.743
where: short stacking energy: -129.971
Base-Backbone interact. energy: -1.745
local terms energy: -192.437028
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -42.230
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -20.531
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: 112
Temperature: 1.350000
Total energy: -231.084094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.084094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.084094 (E_RNA)
where:
Base-Base interactions energy: -82.659
where: short stacking energy: -61.926
Base-Backbone interact. energy: -0.905
local terms energy: -147.520335
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -27.905
tors. eta vs tors. theta energy: -0.994
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: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -984.626537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.626537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.626537 (E_RNA)
where:
Base-Base interactions energy: -671.503
where: short stacking energy: -289.074
Base-Backbone interact. energy: -1.438
local terms energy: -311.685746
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -63.657
flat angles C4'-P-C4' energy: -62.841
flat angles P-C4'-P energy: -51.291
tors. eta vs tors. theta energy: -85.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -964.391996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.391996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.391996 (E_RNA)
where:
Base-Base interactions energy: -671.802
where: short stacking energy: -288.269
Base-Backbone interact. energy: 1.559
local terms energy: -294.149181
where:
bonds (distance) C4'-P energy: -52.211
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -64.168
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -86.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -921.211740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.211740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.211740 (E_RNA)
where:
Base-Base interactions energy: -635.567
where: short stacking energy: -284.116
Base-Backbone interact. energy: -0.812
local terms energy: -284.832362
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -46.567
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -78.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -796.485075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.485075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.485075 (E_RNA)
where:
Base-Base interactions energy: -533.737
where: short stacking energy: -234.054
Base-Backbone interact. energy: -1.380
local terms energy: -261.368102
where:
bonds (distance) C4'-P energy: -53.726
bonds (distance) P-C4' energy: -45.959
flat angles C4'-P-C4' energy: -56.723
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -66.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -824.954364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.954364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.954364 (E_RNA)
where:
Base-Base interactions energy: -566.687
where: short stacking energy: -250.025
Base-Backbone interact. energy: -0.922
local terms energy: -257.345468
where:
bonds (distance) C4'-P energy: -38.631
bonds (distance) P-C4' energy: -42.946
flat angles C4'-P-C4' energy: -62.581
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -71.684
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: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -766.529144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.529144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.529144 (E_RNA)
where:
Base-Base interactions energy: -538.767
where: short stacking energy: -222.597
Base-Backbone interact. energy: -0.735
local terms energy: -227.027146
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -61.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -752.687941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.687941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.687941 (E_RNA)
where:
Base-Base interactions energy: -515.987
where: short stacking energy: -213.079
Base-Backbone interact. energy: -0.279
local terms energy: -236.422244
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -50.295
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -62.649
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: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -725.544698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.544698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.544698 (E_RNA)
where:
Base-Base interactions energy: -489.284
where: short stacking energy: -201.945
Base-Backbone interact. energy: 1.380
local terms energy: -237.640240
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -53.695
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -39.280
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: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -469.048506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.048506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.048506 (E_RNA)
where:
Base-Base interactions energy: -295.281
where: short stacking energy: -129.102
Base-Backbone interact. energy: -0.685
local terms energy: -173.082668
where:
bonds (distance) C4'-P energy: -50.601
bonds (distance) P-C4' energy: -48.128
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -22.396
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: 113
Temperature: 1.350000
Total energy: -219.188363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.188363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.188363 (E_RNA)
where:
Base-Base interactions energy: -63.761
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.854
local terms energy: -154.573547
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -36.726
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: 10.816
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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -985.701729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.701729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.701729 (E_RNA)
where:
Base-Base interactions energy: -692.871
where: short stacking energy: -289.816
Base-Backbone interact. energy: 1.155
local terms energy: -293.986077
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -52.087
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -82.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -952.625152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.625152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.625152 (E_RNA)
where:
Base-Base interactions energy: -660.988
where: short stacking energy: -269.697
Base-Backbone interact. energy: -0.592
local terms energy: -291.044652
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -49.981
flat angles C4'-P-C4' energy: -59.203
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -80.010
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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -897.253390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.253390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.253390 (E_RNA)
where:
Base-Base interactions energy: -647.934
where: short stacking energy: -284.701
Base-Backbone interact. energy: 3.000
local terms energy: -252.319167
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -55.579
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -79.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -812.010789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.010789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.010789 (E_RNA)
where:
Base-Base interactions energy: -540.448
where: short stacking energy: -238.278
Base-Backbone interact. energy: -0.580
local terms energy: -270.982676
where:
bonds (distance) C4'-P energy: -60.534
bonds (distance) P-C4' energy: -46.183
flat angles C4'-P-C4' energy: -60.652
flat angles P-C4'-P energy: -35.154
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: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -831.916938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.916938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.916938 (E_RNA)
where:
Base-Base interactions energy: -576.007
where: short stacking energy: -248.297
Base-Backbone interact. energy: -0.529
local terms energy: -255.380334
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -778.166906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.166906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.166906 (E_RNA)
where:
Base-Base interactions energy: -533.775
where: short stacking energy: -226.792
Base-Backbone interact. energy: 1.095
local terms energy: -245.487208
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -67.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -766.780358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.780358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.780358 (E_RNA)
where:
Base-Base interactions energy: -537.810
where: short stacking energy: -239.376
Base-Backbone interact. energy: -0.163
local terms energy: -228.807415
where:
bonds (distance) C4'-P energy: -42.352
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -49.388
flat angles P-C4'-P energy: -26.448
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: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -720.054093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.054093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.054093 (E_RNA)
where:
Base-Base interactions energy: -484.852
where: short stacking energy: -207.209
Base-Backbone interact. energy: -0.863
local terms energy: -234.338765
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -30.248
tors. eta vs tors. theta energy: -54.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -489.627728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.627728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.627728 (E_RNA)
where:
Base-Base interactions energy: -317.844
where: short stacking energy: -149.097
Base-Backbone interact. energy: 4.909
local terms energy: -176.692678
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -30.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -222.324685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324685 (E_RNA)
where:
Base-Base interactions energy: -78.371
where: short stacking energy: -52.905
Base-Backbone interact. energy: 4.719
local terms energy: -148.673453
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: 1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -969.339000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.339000 (E_RNA)
where:
Base-Base interactions energy: -683.995
where: short stacking energy: -289.991
Base-Backbone interact. energy: -1.283
local terms energy: -284.061819
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -50.045
flat angles C4'-P-C4' energy: -61.321
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -83.657
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: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -921.128190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.128190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.128190 (E_RNA)
where:
Base-Base interactions energy: -655.267
where: short stacking energy: -283.018
Base-Backbone interact. energy: -0.232
local terms energy: -265.628578
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -45.966
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -926.932729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.932729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.932729 (E_RNA)
where:
Base-Base interactions energy: -642.003
where: short stacking energy: -271.619
Base-Backbone interact. energy: -1.626
local terms energy: -283.303493
where:
bonds (distance) C4'-P energy: -51.138
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -82.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -836.667165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.667165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.667165 (E_RNA)
where:
Base-Base interactions energy: -565.950
where: short stacking energy: -249.536
Base-Backbone interact. energy: -0.397
local terms energy: -270.320544
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -69.501
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: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -816.690468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.690468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.690468 (E_RNA)
where:
Base-Base interactions energy: -564.846
where: short stacking energy: -255.521
Base-Backbone interact. energy: 0.007
local terms energy: -251.851102
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -51.785
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -45.536
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: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -780.427001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.427001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.427001 (E_RNA)
where:
Base-Base interactions energy: -536.736
where: short stacking energy: -221.655
Base-Backbone interact. energy: -0.318
local terms energy: -243.373554
where:
bonds (distance) C4'-P energy: -47.498
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -49.431
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -64.170
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -776.498070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.498070 (E_RNA)
where:
Base-Base interactions energy: -533.081
where: short stacking energy: -237.820
Base-Backbone interact. energy: -0.242
local terms energy: -243.175532
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -66.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -701.824443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.824443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.824443 (E_RNA)
where:
Base-Base interactions energy: -479.225
where: short stacking energy: -195.756
Base-Backbone interact. energy: -0.903
local terms energy: -221.696090
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -45.986
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -50.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -504.518275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.518275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.518275 (E_RNA)
where:
Base-Base interactions energy: -296.033
where: short stacking energy: -133.812
Base-Backbone interact. energy: -0.510
local terms energy: -207.975335
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -39.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -221.951534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.951534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.951534 (E_RNA)
where:
Base-Base interactions energy: -86.004
where: short stacking energy: -83.373
Base-Backbone interact. energy: 1.101
local terms energy: -137.048783
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -48.774
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -977.608840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.608840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.608840 (E_RNA)
where:
Base-Base interactions energy: -676.347
where: short stacking energy: -302.232
Base-Backbone interact. energy: -0.983
local terms energy: -300.279319
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -47.606
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -90.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -930.806310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.806310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.806310 (E_RNA)
where:
Base-Base interactions energy: -649.377
where: short stacking energy: -273.047
Base-Backbone interact. energy: -0.770
local terms energy: -280.659184
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -79.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -925.746132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.746132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.746132 (E_RNA)
where:
Base-Base interactions energy: -657.880
where: short stacking energy: -287.879
Base-Backbone interact. energy: -0.760
local terms energy: -267.106059
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -40.903
flat angles C4'-P-C4' energy: -55.466
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -85.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -850.920221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.920221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.920221 (E_RNA)
where:
Base-Base interactions energy: -574.676
where: short stacking energy: -258.242
Base-Backbone interact. energy: 0.551
local terms energy: -276.795383
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -55.544
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -80.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -804.823013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.823013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.823013 (E_RNA)
where:
Base-Base interactions energy: -547.550
where: short stacking energy: -235.581
Base-Backbone interact. energy: -0.634
local terms energy: -256.638939
where:
bonds (distance) C4'-P energy: -45.734
bonds (distance) P-C4' energy: -53.283
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -37.070
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -780.558805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.558805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.558805 (E_RNA)
where:
Base-Base interactions energy: -530.761
where: short stacking energy: -229.011
Base-Backbone interact. energy: -0.716
local terms energy: -249.082035
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -72.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -762.052301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.052301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.052301 (E_RNA)
where:
Base-Base interactions energy: -523.383
where: short stacking energy: -205.760
Base-Backbone interact. energy: 0.891
local terms energy: -239.560008
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -56.932
flat angles P-C4'-P energy: -33.683
tors. eta vs tors. theta energy: -57.114
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: 116
Temperature: 1.250000
Total energy: -713.003077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.003077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.003077 (E_RNA)
where:
Base-Base interactions energy: -486.682
where: short stacking energy: -191.674
Base-Backbone interact. energy: -0.509
local terms energy: -225.812087
where:
bonds (distance) C4'-P energy: -39.759
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -61.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -472.615703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.615703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.615703 (E_RNA)
where:
Base-Base interactions energy: -288.237
where: short stacking energy: -130.509
Base-Backbone interact. energy: -1.277
local terms energy: -183.101381
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -46.242
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -22.631
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: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -220.741398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.741398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.741398 (E_RNA)
where:
Base-Base interactions energy: -61.704
where: short stacking energy: -51.238
Base-Backbone interact. energy: 1.375
local terms energy: -160.411852
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -56.067
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: 5.627
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: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -972.661792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.661792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.661792 (E_RNA)
where:
Base-Base interactions energy: -667.613
where: short stacking energy: -289.642
Base-Backbone interact. energy: -0.829
local terms energy: -304.219598
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -62.536
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: -88.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -949.168404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.168404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.168404 (E_RNA)
where:
Base-Base interactions energy: -660.135
where: short stacking energy: -291.485
Base-Backbone interact. energy: -1.107
local terms energy: -287.926254
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -81.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -900.857716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.857716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.857716 (E_RNA)
where:
Base-Base interactions energy: -623.430
where: short stacking energy: -266.379
Base-Backbone interact. energy: -1.156
local terms energy: -276.271343
where:
bonds (distance) C4'-P energy: -49.913
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: -80.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -843.797004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.797004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.797004 (E_RNA)
where:
Base-Base interactions energy: -578.758
where: short stacking energy: -262.060
Base-Backbone interact. energy: -0.926
local terms energy: -264.113719
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -54.139
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -68.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -815.262676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.262676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.262676 (E_RNA)
where:
Base-Base interactions energy: -569.003
where: short stacking energy: -230.609
Base-Backbone interact. energy: 0.097
local terms energy: -246.356389
where:
bonds (distance) C4'-P energy: -53.257
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -53.010
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -69.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -788.556541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.556541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.556541 (E_RNA)
where:
Base-Base interactions energy: -545.585
where: short stacking energy: -233.200
Base-Backbone interact. energy: -0.551
local terms energy: -242.420968
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -45.174
flat angles C4'-P-C4' energy: -48.178
flat angles P-C4'-P energy: -29.914
tors. eta vs tors. theta energy: -65.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -738.411452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.411452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.411452 (E_RNA)
where:
Base-Base interactions energy: -509.856
where: short stacking energy: -214.990
Base-Backbone interact. energy: 0.259
local terms energy: -228.814556
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -52.552
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -53.078
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: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -725.815819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.815819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.815819 (E_RNA)
where:
Base-Base interactions energy: -494.911
where: short stacking energy: -199.333
Base-Backbone interact. energy: -0.577
local terms energy: -230.328217
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -51.928
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -59.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -494.156605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.156605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.156605 (E_RNA)
where:
Base-Base interactions energy: -297.116
where: short stacking energy: -139.191
Base-Backbone interact. energy: 0.935
local terms energy: -197.975377
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -46.502
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -25.248
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: 117
Temperature: 1.350000
Total energy: -234.939384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.939384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.939384 (E_RNA)
where:
Base-Base interactions energy: -68.739
where: short stacking energy: -63.850
Base-Backbone interact. energy: -1.868
local terms energy: -164.332231
where:
bonds (distance) C4'-P energy: -52.834
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -950.468775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.468775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.468775 (E_RNA)
where:
Base-Base interactions energy: -670.363
where: short stacking energy: -295.719
Base-Backbone interact. energy: -0.813
local terms energy: -279.292642
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -86.945
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -941.370819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.370819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.370819 (E_RNA)
where:
Base-Base interactions energy: -645.293
where: short stacking energy: -280.154
Base-Backbone interact. energy: -0.092
local terms energy: -295.986279
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -54.216
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -78.814
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -844.471739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.471739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.471739 (E_RNA)
where:
Base-Base interactions energy: -579.695
where: short stacking energy: -258.584
Base-Backbone interact. energy: -0.645
local terms energy: -264.130807
where:
bonds (distance) C4'-P energy: -50.742
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -67.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -864.106536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.106536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.106536 (E_RNA)
where:
Base-Base interactions energy: -610.882
where: short stacking energy: -247.831
Base-Backbone interact. energy: -0.487
local terms energy: -252.737885
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -58.034
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -66.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -802.807541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.807541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.807541 (E_RNA)
where:
Base-Base interactions energy: -553.016
where: short stacking energy: -236.021
Base-Backbone interact. energy: 3.872
local terms energy: -253.662946
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -52.315
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -67.192
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: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -775.605577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.605577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.605577 (E_RNA)
where:
Base-Base interactions energy: -530.819
where: short stacking energy: -219.948
Base-Backbone interact. energy: -0.334
local terms energy: -244.452792
where:
bonds (distance) C4'-P energy: -39.211
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -68.623
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: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -764.242221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.242221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.242221 (E_RNA)
where:
Base-Base interactions energy: -527.536
where: short stacking energy: -236.241
Base-Backbone interact. energy: -0.468
local terms energy: -236.237813
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -56.302
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -60.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -725.880426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.880426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.880426 (E_RNA)
where:
Base-Base interactions energy: -500.477
where: short stacking energy: -208.360
Base-Backbone interact. energy: -0.644
local terms energy: -224.758894
where:
bonds (distance) C4'-P energy: -50.415
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -50.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -495.126119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.126119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.126119 (E_RNA)
where:
Base-Base interactions energy: -300.178
where: short stacking energy: -135.980
Base-Backbone interact. energy: 0.971
local terms energy: -195.919229
where:
bonds (distance) C4'-P energy: -50.588
bonds (distance) P-C4' energy: -48.259
flat angles C4'-P-C4' energy: -54.785
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -26.494
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: 118
Temperature: 1.350000
Total energy: -233.070902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.070902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.070902 (E_RNA)
where:
Base-Base interactions energy: -91.284
where: short stacking energy: -74.236
Base-Backbone interact. energy: 4.268
local terms energy: -146.055490
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -42.597
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -975.117047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.117047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.117047 (E_RNA)
where:
Base-Base interactions energy: -678.757
where: short stacking energy: -305.870
Base-Backbone interact. energy: -1.259
local terms energy: -295.101150
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -88.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -943.636706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.636706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.636706 (E_RNA)
where:
Base-Base interactions energy: -645.289
where: short stacking energy: -269.851
Base-Backbone interact. energy: 0.341
local terms energy: -298.688745
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -65.176
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -87.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -857.927916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.927916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.927916 (E_RNA)
where:
Base-Base interactions energy: -594.178
where: short stacking energy: -256.184
Base-Backbone interact. energy: -0.256
local terms energy: -263.494529
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -57.748
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -65.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -852.387433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.387433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.387433 (E_RNA)
where:
Base-Base interactions energy: -591.336
where: short stacking energy: -226.660
Base-Backbone interact. energy: -0.028
local terms energy: -261.022567
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -41.787
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -815.701865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.701865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.701865 (E_RNA)
where:
Base-Base interactions energy: -564.826
where: short stacking energy: -239.244
Base-Backbone interact. energy: -0.395
local terms energy: -250.480506
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -54.604
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -68.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -808.445390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.445390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.445390 (E_RNA)
where:
Base-Base interactions energy: -574.398
where: short stacking energy: -246.690
Base-Backbone interact. energy: -0.247
local terms energy: -233.800393
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -76.034
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: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -766.472380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.472380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.472380 (E_RNA)
where:
Base-Base interactions energy: -507.030
where: short stacking energy: -209.165
Base-Backbone interact. energy: -0.329
local terms energy: -259.113753
where:
bonds (distance) C4'-P energy: -46.935
bonds (distance) P-C4' energy: -56.354
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -70.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -725.363301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.363301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.363301 (E_RNA)
where:
Base-Base interactions energy: -505.771
where: short stacking energy: -219.060
Base-Backbone interact. energy: 0.779
local terms energy: -220.371246
where:
bonds (distance) C4'-P energy: -43.582
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -59.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -422.198915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.198915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.198915 (E_RNA)
where:
Base-Base interactions energy: -231.727
where: short stacking energy: -111.106
Base-Backbone interact. energy: -1.695
local terms energy: -188.777174
where:
bonds (distance) C4'-P energy: -46.591
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -32.793
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -217.475734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.475734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.475734 (E_RNA)
where:
Base-Base interactions energy: -69.641
where: short stacking energy: -58.462
Base-Backbone interact. energy: -1.278
local terms energy: -146.557086
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: 7.163
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -959.675656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.675656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.675656 (E_RNA)
where:
Base-Base interactions energy: -660.779
where: short stacking energy: -277.000
Base-Backbone interact. energy: -0.582
local terms energy: -298.314104
where:
bonds (distance) C4'-P energy: -50.181
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -85.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -949.680297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.680297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.680297 (E_RNA)
where:
Base-Base interactions energy: -657.909
where: short stacking energy: -285.667
Base-Backbone interact. energy: -1.464
local terms energy: -290.307447
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -89.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -885.451861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.451861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.451861 (E_RNA)
where:
Base-Base interactions energy: -618.162
where: short stacking energy: -252.558
Base-Backbone interact. energy: -0.971
local terms energy: -266.319370
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -54.886
flat angles P-C4'-P energy: -32.737
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: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -843.847603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.847603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.847603 (E_RNA)
where:
Base-Base interactions energy: -571.854
where: short stacking energy: -250.205
Base-Backbone interact. energy: -0.333
local terms energy: -271.660180
where:
bonds (distance) C4'-P energy: -45.109
bonds (distance) P-C4' energy: -58.829
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -72.198
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: 120
Temperature: 1.100000
Total energy: -803.076614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.076614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.076614 (E_RNA)
where:
Base-Base interactions energy: -552.955
where: short stacking energy: -240.798
Base-Backbone interact. energy: -1.225
local terms energy: -248.896110
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -67.259
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -798.704799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.704799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.704799 (E_RNA)
where:
Base-Base interactions energy: -553.761
where: short stacking energy: -230.156
Base-Backbone interact. energy: -1.539
local terms energy: -243.404901
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -62.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -776.763867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.763867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.763867 (E_RNA)
where:
Base-Base interactions energy: -543.584
where: short stacking energy: -207.807
Base-Backbone interact. energy: 0.776
local terms energy: -233.956050
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -59.183
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: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -704.410023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.410023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.410023 (E_RNA)
where:
Base-Base interactions energy: -492.672
where: short stacking energy: -209.728
Base-Backbone interact. energy: -0.444
local terms energy: -211.293854
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -50.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -412.818489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.818489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.818489 (E_RNA)
where:
Base-Base interactions energy: -229.380
where: short stacking energy: -93.100
Base-Backbone interact. energy: -1.135
local terms energy: -182.302912
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -40.379
flat angles P-C4'-P energy: -30.793
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: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -231.436857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.436857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.436857 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -64.717
Base-Backbone interact. energy: -1.583
local terms energy: -138.535574
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: 1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -964.761350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.761350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.761350 (E_RNA)
where:
Base-Base interactions energy: -665.475
where: short stacking energy: -292.983
Base-Backbone interact. energy: -0.659
local terms energy: -298.627207
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -90.489
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: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -941.192836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.192836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.192836 (E_RNA)
where:
Base-Base interactions energy: -641.389
where: short stacking energy: -278.792
Base-Backbone interact. energy: -0.766
local terms energy: -299.038564
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: -86.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -893.391857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.391857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.391857 (E_RNA)
where:
Base-Base interactions energy: -627.406
where: short stacking energy: -255.793
Base-Backbone interact. energy: -1.186
local terms energy: -264.799303
where:
bonds (distance) C4'-P energy: -46.273
bonds (distance) P-C4' energy: -60.716
flat angles C4'-P-C4' energy: -47.982
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -71.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -850.193213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.193213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.193213 (E_RNA)
where:
Base-Base interactions energy: -583.508
where: short stacking energy: -246.122
Base-Backbone interact. energy: 0.132
local terms energy: -266.816878
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -56.142
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -68.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -799.858842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.858842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.858842 (E_RNA)
where:
Base-Base interactions energy: -544.546
where: short stacking energy: -245.280
Base-Backbone interact. energy: -1.037
local terms energy: -254.275556
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -67.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -775.598117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.598117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.598117 (E_RNA)
where:
Base-Base interactions energy: -534.680
where: short stacking energy: -238.818
Base-Backbone interact. energy: -0.021
local terms energy: -240.896596
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -46.996
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -66.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -753.380710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.380710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.380710 (E_RNA)
where:
Base-Base interactions energy: -519.910
where: short stacking energy: -221.715
Base-Backbone interact. energy: -0.178
local terms energy: -233.292666
where:
bonds (distance) C4'-P energy: -47.659
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -35.180
tors. eta vs tors. theta energy: -60.011
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: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -708.073812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.073812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.073812 (E_RNA)
where:
Base-Base interactions energy: -500.566
where: short stacking energy: -207.314
Base-Backbone interact. energy: 0.679
local terms energy: -208.186567
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -45.100
flat angles P-C4'-P energy: -23.969
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -416.354625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.354625 (E_RNA)
where:
Base-Base interactions energy: -239.594
where: short stacking energy: -116.429
Base-Backbone interact. energy: 2.201
local terms energy: -178.961352
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -234.851684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.851684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.851684 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -87.760
Base-Backbone interact. energy: 0.582
local terms energy: -129.935849
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -36.830
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -980.390615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.390615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.390615 (E_RNA)
where:
Base-Base interactions energy: -673.026
where: short stacking energy: -293.867
Base-Backbone interact. energy: -1.054
local terms energy: -306.310838
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -61.991
flat angles P-C4'-P energy: -43.424
tors. eta vs tors. theta energy: -90.351
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: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -957.877395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.877395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.877395 (E_RNA)
where:
Base-Base interactions energy: -661.235
where: short stacking energy: -287.377
Base-Backbone interact. energy: -0.779
local terms energy: -295.862987
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -58.263
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -81.025
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: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -910.466370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.466370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.466370 (E_RNA)
where:
Base-Base interactions energy: -637.142
where: short stacking energy: -258.250
Base-Backbone interact. energy: -0.676
local terms energy: -272.647757
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -80.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -842.605581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.605581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.605581 (E_RNA)
where:
Base-Base interactions energy: -572.907
where: short stacking energy: -249.076
Base-Backbone interact. energy: -0.724
local terms energy: -268.973947
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -50.828
flat angles C4'-P-C4' energy: -54.565
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -71.822
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: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -783.932563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.932563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.932563 (E_RNA)
where:
Base-Base interactions energy: -522.258
where: short stacking energy: -231.463
Base-Backbone interact. energy: -0.122
local terms energy: -261.552914
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -40.090
tors. eta vs tors. theta energy: -67.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -765.350417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.350417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.350417 (E_RNA)
where:
Base-Base interactions energy: -536.811
where: short stacking energy: -216.420
Base-Backbone interact. energy: 0.202
local terms energy: -228.741559
where:
bonds (distance) C4'-P energy: -36.218
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -28.038
tors. eta vs tors. theta energy: -62.411
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: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -727.753238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.753238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.753238 (E_RNA)
where:
Base-Base interactions energy: -483.052
where: short stacking energy: -206.941
Base-Backbone interact. energy: -1.115
local terms energy: -243.586325
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -48.210
flat angles C4'-P-C4' energy: -48.024
flat angles P-C4'-P energy: -35.675
tors. eta vs tors. theta energy: -62.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -721.246752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.246752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.246752 (E_RNA)
where:
Base-Base interactions energy: -494.914
where: short stacking energy: -219.453
Base-Backbone interact. energy: -0.273
local terms energy: -226.060242
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -45.930
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -62.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -412.719081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.719081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.719081 (E_RNA)
where:
Base-Base interactions energy: -232.252
where: short stacking energy: -125.818
Base-Backbone interact. energy: -0.561
local terms energy: -179.905909
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -45.955
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -243.976177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.976177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.976177 (E_RNA)
where:
Base-Base interactions energy: -87.276
where: short stacking energy: -69.893
Base-Backbone interact. energy: 0.897
local terms energy: -157.597325
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -2.467
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: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -969.958899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.958899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.958899 (E_RNA)
where:
Base-Base interactions energy: -688.001
where: short stacking energy: -292.921
Base-Backbone interact. energy: -1.471
local terms energy: -280.487307
where:
bonds (distance) C4'-P energy: -45.629
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -80.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -966.502493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.502493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.502493 (E_RNA)
where:
Base-Base interactions energy: -674.688
where: short stacking energy: -292.664
Base-Backbone interact. energy: -1.384
local terms energy: -290.430296
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -54.711
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -85.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -914.747022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.747022 (E_RNA)
where:
Base-Base interactions energy: -636.435
where: short stacking energy: -276.679
Base-Backbone interact. energy: 1.186
local terms energy: -279.497670
where:
bonds (distance) C4'-P energy: -49.028
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -57.890
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -77.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -828.026186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.026186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.026186 (E_RNA)
where:
Base-Base interactions energy: -557.569
where: short stacking energy: -249.874
Base-Backbone interact. energy: 0.263
local terms energy: -270.719831
where:
bonds (distance) C4'-P energy: -50.347
bonds (distance) P-C4' energy: -56.263
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -41.293
tors. eta vs tors. theta energy: -65.978
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -830.286930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.286930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.286930 (E_RNA)
where:
Base-Base interactions energy: -575.190
where: short stacking energy: -250.882
Base-Backbone interact. energy: -0.354
local terms energy: -254.742503
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -48.174
flat angles C4'-P-C4' energy: -49.346
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -79.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -783.844428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.844428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.844428 (E_RNA)
where:
Base-Base interactions energy: -536.986
where: short stacking energy: -236.868
Base-Backbone interact. energy: -0.354
local terms energy: -246.505037
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -44.995
flat angles C4'-P-C4' energy: -59.524
flat angles P-C4'-P energy: -33.142
tors. eta vs tors. theta energy: -68.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -718.551862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.551862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.551862 (E_RNA)
where:
Base-Base interactions energy: -499.039
where: short stacking energy: -208.618
Base-Backbone interact. energy: -0.554
local terms energy: -218.959119
where:
bonds (distance) C4'-P energy: -33.773
bonds (distance) P-C4' energy: -43.881
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -53.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -733.693479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.693479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.693479 (E_RNA)
where:
Base-Base interactions energy: -531.814
where: short stacking energy: -226.686
Base-Backbone interact. energy: -0.892
local terms energy: -200.987901
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -43.341
flat angles C4'-P-C4' energy: -49.806
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -57.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -420.316552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.316552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.316552 (E_RNA)
where:
Base-Base interactions energy: -242.669
where: short stacking energy: -101.736
Base-Backbone interact. energy: -2.304
local terms energy: -175.342994
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -44.613
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -12.288
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: 123
Temperature: 1.350000
Total energy: -220.475611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475611 (E_RNA)
where:
Base-Base interactions energy: -85.814
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.522
local terms energy: -134.139937
where:
bonds (distance) C4'-P energy: -36.637
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -964.106831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.106831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.106831 (E_RNA)
where:
Base-Base interactions energy: -675.692
where: short stacking energy: -289.626
Base-Backbone interact. energy: -1.147
local terms energy: -287.267662
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -88.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -957.075899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.075899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.075899 (E_RNA)
where:
Base-Base interactions energy: -672.390
where: short stacking energy: -290.346
Base-Backbone interact. energy: -0.666
local terms energy: -284.020857
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -46.443
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -87.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -907.523597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.523597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.523597 (E_RNA)
where:
Base-Base interactions energy: -626.593
where: short stacking energy: -251.451
Base-Backbone interact. energy: 1.070
local terms energy: -282.000445
where:
bonds (distance) C4'-P energy: -42.236
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -74.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -838.671100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.671100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.671100 (E_RNA)
where:
Base-Base interactions energy: -581.352
where: short stacking energy: -250.328
Base-Backbone interact. energy: -0.452
local terms energy: -256.867573
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -32.987
tors. eta vs tors. theta energy: -69.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -805.546456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.546456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.546456 (E_RNA)
where:
Base-Base interactions energy: -550.690
where: short stacking energy: -241.800
Base-Backbone interact. energy: -0.165
local terms energy: -254.692111
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -52.785
flat angles P-C4'-P energy: -49.354
tors. eta vs tors. theta energy: -72.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -772.439727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.439727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.439727 (E_RNA)
where:
Base-Base interactions energy: -532.140
where: short stacking energy: -232.554
Base-Backbone interact. energy: 0.482
local terms energy: -240.781667
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -41.974
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -31.289
tors. eta vs tors. theta energy: -68.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -735.147593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.147593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.147593 (E_RNA)
where:
Base-Base interactions energy: -519.899
where: short stacking energy: -213.978
Base-Backbone interact. energy: -0.006
local terms energy: -215.242217
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -50.017
flat angles P-C4'-P energy: -33.973
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -719.167921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.167921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.167921 (E_RNA)
where:
Base-Base interactions energy: -497.076
where: short stacking energy: -210.996
Base-Backbone interact. energy: 1.871
local terms energy: -223.962037
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -39.695
flat angles C4'-P-C4' energy: -51.855
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -60.193
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: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -431.343826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.343826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.343826 (E_RNA)
where:
Base-Base interactions energy: -243.616
where: short stacking energy: -120.937
Base-Backbone interact. energy: -0.191
local terms energy: -187.536643
where:
bonds (distance) C4'-P energy: -42.299
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -229.507254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.507254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.507254 (E_RNA)
where:
Base-Base interactions energy: -80.148
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.876
local terms energy: -148.483432
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: 5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -987.836863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.836863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.836863 (E_RNA)
where:
Base-Base interactions energy: -674.342
where: short stacking energy: -299.976
Base-Backbone interact. energy: -0.703
local terms energy: -312.791766
where:
bonds (distance) C4'-P energy: -56.603
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -89.247
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: 125
Temperature: 0.950000
Total energy: -950.341561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.341561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.341561 (E_RNA)
where:
Base-Base interactions energy: -651.782
where: short stacking energy: -284.363
Base-Backbone interact. energy: -1.521
local terms energy: -297.039148
where:
bonds (distance) C4'-P energy: -52.419
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -62.068
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -84.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -895.953414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.953414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.953414 (E_RNA)
where:
Base-Base interactions energy: -626.551
where: short stacking energy: -255.066
Base-Backbone interact. energy: -1.983
local terms energy: -267.418841
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -57.744
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -35.893
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: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -811.771587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.771587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.771587 (E_RNA)
where:
Base-Base interactions energy: -558.157
where: short stacking energy: -240.394
Base-Backbone interact. energy: -0.619
local terms energy: -252.995683
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -71.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -819.344327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.344327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.344327 (E_RNA)
where:
Base-Base interactions energy: -577.412
where: short stacking energy: -236.966
Base-Backbone interact. energy: -0.952
local terms energy: -240.980496
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -41.064
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -764.596259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.596259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.596259 (E_RNA)
where:
Base-Base interactions energy: -503.630
where: short stacking energy: -222.523
Base-Backbone interact. energy: -0.529
local terms energy: -260.437194
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -64.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -755.750429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.750429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.750429 (E_RNA)
where:
Base-Base interactions energy: -517.976
where: short stacking energy: -205.282
Base-Backbone interact. energy: -2.139
local terms energy: -235.635499
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -51.100
flat angles C4'-P-C4' energy: -42.507
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -62.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -727.533036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.533036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.533036 (E_RNA)
where:
Base-Base interactions energy: -495.222
where: short stacking energy: -201.062
Base-Backbone interact. energy: -0.020
local terms energy: -232.291444
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -42.087
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -52.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -416.164495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.164495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.164495 (E_RNA)
where:
Base-Base interactions energy: -255.763
where: short stacking energy: -122.308
Base-Backbone interact. energy: 0.328
local terms energy: -160.729077
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -223.298079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.298079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.298079 (E_RNA)
where:
Base-Base interactions energy: -80.557
where: short stacking energy: -56.352
Base-Backbone interact. energy: 8.630
local terms energy: -151.370516
where:
bonds (distance) C4'-P energy: -43.387
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -40.236
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: 5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -962.569562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.569562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.569562 (E_RNA)
where:
Base-Base interactions energy: -670.419
where: short stacking energy: -287.163
Base-Backbone interact. energy: -0.971
local terms energy: -291.179041
where:
bonds (distance) C4'-P energy: -49.003
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -55.581
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -948.186954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.186954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.186954 (E_RNA)
where:
Base-Base interactions energy: -648.650
where: short stacking energy: -279.997
Base-Backbone interact. energy: -0.433
local terms energy: -299.103648
where:
bonds (distance) C4'-P energy: -59.237
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -86.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -907.047735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.047735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.047735 (E_RNA)
where:
Base-Base interactions energy: -625.311
where: short stacking energy: -266.877
Base-Backbone interact. energy: -0.731
local terms energy: -281.005179
where:
bonds (distance) C4'-P energy: -51.873
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -75.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -851.144148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.144148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.144148 (E_RNA)
where:
Base-Base interactions energy: -590.951
where: short stacking energy: -274.601
Base-Backbone interact. energy: 0.290
local terms energy: -260.483295
where:
bonds (distance) C4'-P energy: -50.794
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -77.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -812.656789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.656789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.656789 (E_RNA)
where:
Base-Base interactions energy: -550.239
where: short stacking energy: -222.270
Base-Backbone interact. energy: -0.395
local terms energy: -262.022886
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -76.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -772.473917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.473917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.473917 (E_RNA)
where:
Base-Base interactions energy: -524.908
where: short stacking energy: -217.926
Base-Backbone interact. energy: -0.427
local terms energy: -247.139066
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -57.522
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: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -762.327173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.327173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.327173 (E_RNA)
where:
Base-Base interactions energy: -516.808
where: short stacking energy: -222.165
Base-Backbone interact. energy: -2.027
local terms energy: -243.492476
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -36.934
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: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -706.716035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.716035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.716035 (E_RNA)
where:
Base-Base interactions energy: -481.909
where: short stacking energy: -205.573
Base-Backbone interact. energy: -0.970
local terms energy: -223.836369
where:
bonds (distance) C4'-P energy: -39.673
bonds (distance) P-C4' energy: -43.742
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -52.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -450.025399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.025399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.025399 (E_RNA)
where:
Base-Base interactions energy: -281.495
where: short stacking energy: -124.401
Base-Backbone interact. energy: -0.032
local terms energy: -168.498491
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -230.588136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.588136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.588136 (E_RNA)
where:
Base-Base interactions energy: -77.396
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.420
local terms energy: -152.771405
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -979.091745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.091745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.091745 (E_RNA)
where:
Base-Base interactions energy: -672.867
where: short stacking energy: -285.229
Base-Backbone interact. energy: -1.153
local terms energy: -305.071953
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -60.880
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -41.934
tors. eta vs tors. theta energy: -86.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -951.751620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.751620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.751620 (E_RNA)
where:
Base-Base interactions energy: -651.719
where: short stacking energy: -282.460
Base-Backbone interact. energy: -0.905
local terms energy: -299.127211
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -59.586
flat angles P-C4'-P energy: -41.174
tors. eta vs tors. theta energy: -86.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -906.775250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.775250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.775250 (E_RNA)
where:
Base-Base interactions energy: -632.942
where: short stacking energy: -276.526
Base-Backbone interact. energy: 0.381
local terms energy: -274.213966
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -60.376
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -75.597
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: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -867.994891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.994891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.994891 (E_RNA)
where:
Base-Base interactions energy: -587.716
where: short stacking energy: -252.205
Base-Backbone interact. energy: -1.096
local terms energy: -279.183177
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -44.855
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: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -829.459787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.459787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.459787 (E_RNA)
where:
Base-Base interactions energy: -567.998
where: short stacking energy: -245.886
Base-Backbone interact. energy: 0.113
local terms energy: -261.574736
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -67.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -807.865372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.865372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.865372 (E_RNA)
where:
Base-Base interactions energy: -552.257
where: short stacking energy: -234.876
Base-Backbone interact. energy: -0.610
local terms energy: -254.998253
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -50.810
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -68.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -751.089877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.089877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.089877 (E_RNA)
where:
Base-Base interactions energy: -515.396
where: short stacking energy: -217.225
Base-Backbone interact. energy: 0.133
local terms energy: -235.826789
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -61.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -728.387199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.387199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.387199 (E_RNA)
where:
Base-Base interactions energy: -496.355
where: short stacking energy: -214.616
Base-Backbone interact. energy: -0.789
local terms energy: -231.244070
where:
bonds (distance) C4'-P energy: -40.899
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -50.675
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -64.767
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: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -422.269065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.269065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.269065 (E_RNA)
where:
Base-Base interactions energy: -240.059
where: short stacking energy: -113.823
Base-Backbone interact. energy: 2.430
local terms energy: -184.640507
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -42.411
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -223.151424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.151424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.151424 (E_RNA)
where:
Base-Base interactions energy: -80.646
where: short stacking energy: -74.834
Base-Backbone interact. energy: 1.627
local terms energy: -144.132277
where:
bonds (distance) C4'-P energy: -44.165
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -951.823446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.823446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.823446 (E_RNA)
where:
Base-Base interactions energy: -667.832
where: short stacking energy: -287.582
Base-Backbone interact. energy: 1.348
local terms energy: -285.339535
where:
bonds (distance) C4'-P energy: -46.551
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -60.126
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -81.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -947.786943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.786943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.786943 (E_RNA)
where:
Base-Base interactions energy: -655.310
where: short stacking energy: -284.691
Base-Backbone interact. energy: -1.208
local terms energy: -291.268787
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -59.742
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -87.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -859.566920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.566920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.566920 (E_RNA)
where:
Base-Base interactions energy: -574.367
where: short stacking energy: -246.372
Base-Backbone interact. energy: -0.479
local terms energy: -284.720443
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: -72.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -869.034002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.034002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.034002 (E_RNA)
where:
Base-Base interactions energy: -609.451
where: short stacking energy: -251.301
Base-Backbone interact. energy: 3.025
local terms energy: -262.607747
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -68.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -817.651777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.651777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.651777 (E_RNA)
where:
Base-Base interactions energy: -569.728
where: short stacking energy: -251.400
Base-Backbone interact. energy: -0.985
local terms energy: -246.938892
where:
bonds (distance) C4'-P energy: -54.002
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -51.976
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -65.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -804.137469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.137469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.137469 (E_RNA)
where:
Base-Base interactions energy: -545.106
where: short stacking energy: -238.152
Base-Backbone interact. energy: -1.286
local terms energy: -257.745603
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -73.138
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -750.672826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.672826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.672826 (E_RNA)
where:
Base-Base interactions energy: -517.097
where: short stacking energy: -226.441
Base-Backbone interact. energy: 0.355
local terms energy: -233.930579
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -49.382
flat angles P-C4'-P energy: -35.145
tors. eta vs tors. theta energy: -57.362
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -713.727844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.727844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.727844 (E_RNA)
where:
Base-Base interactions energy: -507.937
where: short stacking energy: -206.538
Base-Backbone interact. energy: 0.969
local terms energy: -206.760499
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -42.462
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -406.777057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.777057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.777057 (E_RNA)
where:
Base-Base interactions energy: -221.163
where: short stacking energy: -111.303
Base-Backbone interact. energy: -0.776
local terms energy: -184.838132
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -226.411012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.411012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.411012 (E_RNA)
where:
Base-Base interactions energy: -97.900
where: short stacking energy: -77.912
Base-Backbone interact. energy: 1.481
local terms energy: -129.991763
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -954.324929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.324929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.324929 (E_RNA)
where:
Base-Base interactions energy: -662.552
where: short stacking energy: -292.924
Base-Backbone interact. energy: -1.055
local terms energy: -290.717758
where:
bonds (distance) C4'-P energy: -45.890
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -60.189
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -84.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -930.499708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.499708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.499708 (E_RNA)
where:
Base-Base interactions energy: -650.362
where: short stacking energy: -273.634
Base-Backbone interact. energy: -1.267
local terms energy: -278.871001
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -57.046
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -81.521
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -854.986468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.986468 (E_RNA)
where:
Base-Base interactions energy: -594.417
where: short stacking energy: -264.945
Base-Backbone interact. energy: 0.101
local terms energy: -260.670079
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -72.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -860.509423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.509423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.509423 (E_RNA)
where:
Base-Base interactions energy: -602.206
where: short stacking energy: -252.982
Base-Backbone interact. energy: -0.113
local terms energy: -258.190936
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -67.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -840.663271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.663271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.663271 (E_RNA)
where:
Base-Base interactions energy: -573.734
where: short stacking energy: -250.267
Base-Backbone interact. energy: -0.469
local terms energy: -266.459969
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -58.463
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: -65.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -777.934617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.934617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.934617 (E_RNA)
where:
Base-Base interactions energy: -526.600
where: short stacking energy: -222.426
Base-Backbone interact. energy: -0.293
local terms energy: -251.042023
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -48.175
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -39.079
tors. eta vs tors. theta energy: -65.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -727.662187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.662187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.662187 (E_RNA)
where:
Base-Base interactions energy: -493.889
where: short stacking energy: -197.115
Base-Backbone interact. energy: -1.041
local terms energy: -232.731759
where:
bonds (distance) C4'-P energy: -47.102
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -47.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -688.819798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.819798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.819798 (E_RNA)
where:
Base-Base interactions energy: -476.976
where: short stacking energy: -194.243
Base-Backbone interact. energy: -0.489
local terms energy: -211.354657
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -43.826
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -51.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -398.868053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.868053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.868053 (E_RNA)
where:
Base-Base interactions energy: -238.136
where: short stacking energy: -113.521
Base-Backbone interact. energy: 1.049
local terms energy: -161.780934
where:
bonds (distance) C4'-P energy: -38.688
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -236.883849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.883849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883849 (E_RNA)
where:
Base-Base interactions energy: -81.593
where: short stacking energy: -60.677
Base-Backbone interact. energy: 0.570
local terms energy: -155.860784
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -43.379
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: 1.828
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: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -957.704322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.704322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.704322 (E_RNA)
where:
Base-Base interactions energy: -650.988
where: short stacking energy: -298.327
Base-Backbone interact. energy: -1.045
local terms energy: -305.671688
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -90.116
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: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -936.360399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.360399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.360399 (E_RNA)
where:
Base-Base interactions energy: -639.220
where: short stacking energy: -278.001
Base-Backbone interact. energy: -0.297
local terms energy: -296.844295
where:
bonds (distance) C4'-P energy: -53.073
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -43.473
tors. eta vs tors. theta energy: -79.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -874.386666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.386666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.386666 (E_RNA)
where:
Base-Base interactions energy: -593.679
where: short stacking energy: -251.403
Base-Backbone interact. energy: 3.541
local terms energy: -284.248385
where:
bonds (distance) C4'-P energy: -56.149
bonds (distance) P-C4' energy: -54.454
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -71.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -850.201883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.201883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.201883 (E_RNA)
where:
Base-Base interactions energy: -591.859
where: short stacking energy: -259.756
Base-Backbone interact. energy: -0.861
local terms energy: -257.481146
where:
bonds (distance) C4'-P energy: -43.847
bonds (distance) P-C4' energy: -54.914
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -76.692
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: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -826.487283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.487283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.487283 (E_RNA)
where:
Base-Base interactions energy: -565.849
where: short stacking energy: -249.904
Base-Backbone interact. energy: -1.194
local terms energy: -259.444084
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -70.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -799.911877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.911877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.911877 (E_RNA)
where:
Base-Base interactions energy: -550.178
where: short stacking energy: -240.446
Base-Backbone interact. energy: -0.742
local terms energy: -248.991341
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -49.209
flat angles C4'-P-C4' energy: -50.335
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -68.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -718.432049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.432049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.432049 (E_RNA)
where:
Base-Base interactions energy: -471.696
where: short stacking energy: -204.570
Base-Backbone interact. energy: -1.947
local terms energy: -244.788867
where:
bonds (distance) C4'-P energy: -50.901
bonds (distance) P-C4' energy: -53.305
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -55.406
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: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -739.443248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.443248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.443248 (E_RNA)
where:
Base-Base interactions energy: -508.862
where: short stacking energy: -219.333
Base-Backbone interact. energy: 1.706
local terms energy: -232.287289
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -52.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -403.872122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.872122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.872122 (E_RNA)
where:
Base-Base interactions energy: -240.021
where: short stacking energy: -126.078
Base-Backbone interact. energy: -0.865
local terms energy: -162.985441
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -46.233
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -20.596
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: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -228.195458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.195458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.195458 (E_RNA)
where:
Base-Base interactions energy: -86.277
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.791
local terms energy: -141.126820
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -46.903
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -963.950738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.950738 (E_RNA)
where:
Base-Base interactions energy: -661.521
where: short stacking energy: -288.851
Base-Backbone interact. energy: -1.324
local terms energy: -301.106092
where:
bonds (distance) C4'-P energy: -56.409
bonds (distance) P-C4' energy: -52.934
flat angles C4'-P-C4' energy: -65.358
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -904.929052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.929052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.929052 (E_RNA)
where:
Base-Base interactions energy: -635.326
where: short stacking energy: -268.687
Base-Backbone interact. energy: 2.385
local terms energy: -271.988104
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -41.073
tors. eta vs tors. theta energy: -75.620
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: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -904.862362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.862362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.862362 (E_RNA)
where:
Base-Base interactions energy: -629.512
where: short stacking energy: -270.720
Base-Backbone interact. energy: -1.102
local terms energy: -274.248655
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -50.035
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -78.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -825.349817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.349817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.349817 (E_RNA)
where:
Base-Base interactions energy: -567.159
where: short stacking energy: -252.878
Base-Backbone interact. energy: 0.731
local terms energy: -258.921068
where:
bonds (distance) C4'-P energy: -49.787
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -72.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -853.362605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.362605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.362605 (E_RNA)
where:
Base-Base interactions energy: -590.447
where: short stacking energy: -262.266
Base-Backbone interact. energy: 2.295
local terms energy: -265.209899
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -46.817
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -39.940
tors. eta vs tors. theta energy: -68.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -751.633699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.633699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.633699 (E_RNA)
where:
Base-Base interactions energy: -515.658
where: short stacking energy: -218.344
Base-Backbone interact. energy: -0.164
local terms energy: -235.811893
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -51.158
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -59.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -798.714456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.714456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.714456 (E_RNA)
where:
Base-Base interactions energy: -552.004
where: short stacking energy: -232.735
Base-Backbone interact. energy: -0.753
local terms energy: -245.957321
where:
bonds (distance) C4'-P energy: -48.565
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -61.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -730.398528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.398528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.398528 (E_RNA)
where:
Base-Base interactions energy: -507.198
where: short stacking energy: -223.240
Base-Backbone interact. energy: -0.622
local terms energy: -222.577763
where:
bonds (distance) C4'-P energy: -41.233
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -66.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -419.603589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.603589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.603589 (E_RNA)
where:
Base-Base interactions energy: -239.540
where: short stacking energy: -112.448
Base-Backbone interact. energy: -0.508
local terms energy: -179.556036
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -52.011
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -238.462560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.462560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.462560 (E_RNA)
where:
Base-Base interactions energy: -91.714
where: short stacking energy: -79.300
Base-Backbone interact. energy: 1.799
local terms energy: -148.547354
where:
bonds (distance) C4'-P energy: -43.625
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: 5.921
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: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -972.820238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.820238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.820238 (E_RNA)
where:
Base-Base interactions energy: -669.362
where: short stacking energy: -283.644
Base-Backbone interact. energy: -2.648
local terms energy: -300.810621
where:
bonds (distance) C4'-P energy: -51.918
bonds (distance) P-C4' energy: -59.319
flat angles C4'-P-C4' energy: -61.109
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -85.177
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: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -895.372911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.372911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.372911 (E_RNA)
where:
Base-Base interactions energy: -632.805
where: short stacking energy: -271.284
Base-Backbone interact. energy: 0.477
local terms energy: -263.044726
where:
bonds (distance) C4'-P energy: -40.438
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -49.125
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: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -905.452473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.452473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.452473 (E_RNA)
where:
Base-Base interactions energy: -623.614
where: short stacking energy: -266.800
Base-Backbone interact. energy: -1.375
local terms energy: -280.464008
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -59.919
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -77.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -833.333908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.333908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.333908 (E_RNA)
where:
Base-Base interactions energy: -571.739
where: short stacking energy: -267.431
Base-Backbone interact. energy: 0.700
local terms energy: -262.294818
where:
bonds (distance) C4'-P energy: -46.482
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -59.031
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -72.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -820.782751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.782751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.782751 (E_RNA)
where:
Base-Base interactions energy: -565.905
where: short stacking energy: -240.423
Base-Backbone interact. energy: -0.652
local terms energy: -254.225474
where:
bonds (distance) C4'-P energy: -53.865
bonds (distance) P-C4' energy: -44.111
flat angles C4'-P-C4' energy: -55.212
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -61.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -751.059590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.059590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.059590 (E_RNA)
where:
Base-Base interactions energy: -513.309
where: short stacking energy: -216.012
Base-Backbone interact. energy: -0.317
local terms energy: -237.433842
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -57.129
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: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -721.175912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.175912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.175912 (E_RNA)
where:
Base-Base interactions energy: -489.307
where: short stacking energy: -200.824
Base-Backbone interact. energy: -1.076
local terms energy: -230.792300
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -57.434
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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -732.184607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.184607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.184607 (E_RNA)
where:
Base-Base interactions energy: -507.039
where: short stacking energy: -209.057
Base-Backbone interact. energy: -1.674
local terms energy: -223.471003
where:
bonds (distance) C4'-P energy: -41.234
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -45.228
flat angles P-C4'-P energy: -30.643
tors. eta vs tors. theta energy: -56.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -419.465494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.465494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.465494 (E_RNA)
where:
Base-Base interactions energy: -238.009
where: short stacking energy: -104.428
Base-Backbone interact. energy: 0.973
local terms energy: -182.428518
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -48.504
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -20.142
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: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -206.373407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.373407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.373407 (E_RNA)
where:
Base-Base interactions energy: -83.152
where: short stacking energy: -52.882
Base-Backbone interact. energy: 2.663
local terms energy: -125.883916
where:
bonds (distance) C4'-P energy: -43.893
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -19.231
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -980.952636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.952636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.952636 (E_RNA)
where:
Base-Base interactions energy: -696.292
where: short stacking energy: -294.399
Base-Backbone interact. energy: 1.018
local terms energy: -285.678622
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -82.794
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -952.500234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.500234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.500234 (E_RNA)
where:
Base-Base interactions energy: -665.406
where: short stacking energy: -288.010
Base-Backbone interact. energy: -0.464
local terms energy: -286.630533
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -45.610
flat angles C4'-P-C4' energy: -60.217
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -84.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -877.772127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.772127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.772127 (E_RNA)
where:
Base-Base interactions energy: -609.087
where: short stacking energy: -251.446
Base-Backbone interact. energy: -0.255
local terms energy: -268.429987
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -45.201
tors. eta vs tors. theta energy: -73.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -832.721554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.721554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.721554 (E_RNA)
where:
Base-Base interactions energy: -564.345
where: short stacking energy: -260.857
Base-Backbone interact. energy: -0.587
local terms energy: -267.790032
where:
bonds (distance) C4'-P energy: -49.061
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -72.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -810.197521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.197521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.197521 (E_RNA)
where:
Base-Base interactions energy: -570.166
where: short stacking energy: -239.315
Base-Backbone interact. energy: -1.238
local terms energy: -238.793860
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -49.910
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -61.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -749.891880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.891880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.891880 (E_RNA)
where:
Base-Base interactions energy: -522.044
where: short stacking energy: -232.276
Base-Backbone interact. energy: -1.168
local terms energy: -226.680344
where:
bonds (distance) C4'-P energy: -44.552
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -59.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -745.566239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.566239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.566239 (E_RNA)
where:
Base-Base interactions energy: -509.551
where: short stacking energy: -205.624
Base-Backbone interact. energy: -0.307
local terms energy: -235.708307
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -48.689
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -53.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -746.810770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.810770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.810770 (E_RNA)
where:
Base-Base interactions energy: -510.043
where: short stacking energy: -214.451
Base-Backbone interact. energy: -0.273
local terms energy: -236.494734
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -50.790
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -59.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -447.966478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.966478 (E_RNA)
where:
Base-Base interactions energy: -257.479
where: short stacking energy: -126.264
Base-Backbone interact. energy: 4.948
local terms energy: -195.434784
where:
bonds (distance) C4'-P energy: -56.713
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -54.907
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -227.768396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.768396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.768396 (E_RNA)
where:
Base-Base interactions energy: -79.792
where: short stacking energy: -77.437
Base-Backbone interact. energy: -1.368
local terms energy: -146.607758
where:
bonds (distance) C4'-P energy: -50.460
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -27.128
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -978.823529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.823529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.823529 (E_RNA)
where:
Base-Base interactions energy: -674.695
where: short stacking energy: -299.531
Base-Backbone interact. energy: -2.112
local terms energy: -302.016618
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -56.743
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -93.419
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: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -966.818952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.818952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.818952 (E_RNA)
where:
Base-Base interactions energy: -669.051
where: short stacking energy: -278.206
Base-Backbone interact. energy: -0.477
local terms energy: -297.290495
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -84.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -888.893102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.893102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.893102 (E_RNA)
where:
Base-Base interactions energy: -634.899
where: short stacking energy: -261.106
Base-Backbone interact. energy: -0.866
local terms energy: -253.127889
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -48.785
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -69.945
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: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -887.988227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.988227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.988227 (E_RNA)
where:
Base-Base interactions energy: -616.719
where: short stacking energy: -276.295
Base-Backbone interact. energy: -1.244
local terms energy: -270.025679
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -83.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -826.353801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.353801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.353801 (E_RNA)
where:
Base-Base interactions energy: -569.544
where: short stacking energy: -242.030
Base-Backbone interact. energy: -0.181
local terms energy: -256.628550
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -69.727
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -767.997946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.997946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.997946 (E_RNA)
where:
Base-Base interactions energy: -527.512
where: short stacking energy: -234.758
Base-Backbone interact. energy: -0.121
local terms energy: -240.365764
where:
bonds (distance) C4'-P energy: -49.301
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -67.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -748.509578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.509578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.509578 (E_RNA)
where:
Base-Base interactions energy: -518.044
where: short stacking energy: -225.226
Base-Backbone interact. energy: 0.304
local terms energy: -230.769338
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -52.767
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -64.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -718.762329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.762329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.762329 (E_RNA)
where:
Base-Base interactions energy: -478.591
where: short stacking energy: -193.932
Base-Backbone interact. energy: 3.335
local terms energy: -243.506614
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -54.834
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: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -436.101561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.101561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.101561 (E_RNA)
where:
Base-Base interactions energy: -262.688
where: short stacking energy: -108.925
Base-Backbone interact. energy: -4.016
local terms energy: -169.398404
where:
bonds (distance) C4'-P energy: -40.527
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -242.763231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.763231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.763231 (E_RNA)
where:
Base-Base interactions energy: -104.181
where: short stacking energy: -69.176
Base-Backbone interact. energy: -1.637
local terms energy: -136.945127
where:
bonds (distance) C4'-P energy: -43.923
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -958.058710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.058710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.058710 (E_RNA)
where:
Base-Base interactions energy: -668.453
where: short stacking energy: -294.404
Base-Backbone interact. energy: -1.255
local terms energy: -288.350003
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -50.828
flat angles C4'-P-C4' energy: -56.814
flat angles P-C4'-P energy: -38.856
tors. eta vs tors. theta energy: -88.039
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: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -955.359590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.359590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.359590 (E_RNA)
where:
Base-Base interactions energy: -652.271
where: short stacking energy: -291.001
Base-Backbone interact. energy: -0.309
local terms energy: -302.779369
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -59.262
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -89.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -884.261883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.261883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.261883 (E_RNA)
where:
Base-Base interactions energy: -625.973
where: short stacking energy: -260.217
Base-Backbone interact. energy: 0.537
local terms energy: -258.825868
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -51.589
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -835.981054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.981054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.981054 (E_RNA)
where:
Base-Base interactions energy: -572.102
where: short stacking energy: -248.049
Base-Backbone interact. energy: -2.528
local terms energy: -261.350468
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -53.710
flat angles C4'-P-C4' energy: -54.937
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -73.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -844.664299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.664299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.664299 (E_RNA)
where:
Base-Base interactions energy: -585.864
where: short stacking energy: -248.938
Base-Backbone interact. energy: 1.047
local terms energy: -259.847720
where:
bonds (distance) C4'-P energy: -49.751
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -36.326
tors. eta vs tors. theta energy: -72.276
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: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -781.978677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.978677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.978677 (E_RNA)
where:
Base-Base interactions energy: -529.276
where: short stacking energy: -244.451
Base-Backbone interact. energy: -0.451
local terms energy: -252.251292
where:
bonds (distance) C4'-P energy: -52.038
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -51.110
flat angles P-C4'-P energy: -31.121
tors. eta vs tors. theta energy: -65.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -739.068120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.068120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.068120 (E_RNA)
where:
Base-Base interactions energy: -499.632
where: short stacking energy: -201.712
Base-Backbone interact. energy: -1.234
local terms energy: -238.202154
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -58.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -711.546701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.546701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.546701 (E_RNA)
where:
Base-Base interactions energy: -481.139
where: short stacking energy: -199.957
Base-Backbone interact. energy: -0.210
local terms energy: -230.197359
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -60.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -428.555069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.555069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.555069 (E_RNA)
where:
Base-Base interactions energy: -259.220
where: short stacking energy: -121.155
Base-Backbone interact. energy: -1.644
local terms energy: -167.691858
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -46.008
flat angles C4'-P-C4' energy: -48.224
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -16.752
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: 135
Temperature: 1.350000
Total energy: -244.702761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.702761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.702761 (E_RNA)
where:
Base-Base interactions energy: -104.015
where: short stacking energy: -75.195
Base-Backbone interact. energy: -1.090
local terms energy: -139.597581
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -47.160
flat angles C4'-P-C4' energy: -45.035
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: 4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -982.300946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.300946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.300946 (E_RNA)
where:
Base-Base interactions energy: -673.107
where: short stacking energy: -286.048
Base-Backbone interact. energy: -2.302
local terms energy: -306.891819
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -55.706
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -91.461
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -952.450006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.450006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.450006 (E_RNA)
where:
Base-Base interactions energy: -647.312
where: short stacking energy: -276.908
Base-Backbone interact. energy: -1.685
local terms energy: -303.452741
where:
bonds (distance) C4'-P energy: -55.275
bonds (distance) P-C4' energy: -60.959
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -88.051
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: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -871.714602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.714602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.714602 (E_RNA)
where:
Base-Base interactions energy: -614.208
where: short stacking energy: -251.232
Base-Backbone interact. energy: -0.290
local terms energy: -257.216741
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -56.584
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -72.682
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: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -846.272435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.272435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.272435 (E_RNA)
where:
Base-Base interactions energy: -588.132
where: short stacking energy: -263.137
Base-Backbone interact. energy: -0.415
local terms energy: -257.725806
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -72.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -837.605065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.605065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.605065 (E_RNA)
where:
Base-Base interactions energy: -573.352
where: short stacking energy: -252.241
Base-Backbone interact. energy: -0.612
local terms energy: -263.641178
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -77.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -792.703030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.703030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.703030 (E_RNA)
where:
Base-Base interactions energy: -526.042
where: short stacking energy: -226.922
Base-Backbone interact. energy: -0.698
local terms energy: -265.963182
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -72.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -746.665892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.665892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.665892 (E_RNA)
where:
Base-Base interactions energy: -517.634
where: short stacking energy: -211.035
Base-Backbone interact. energy: -0.315
local terms energy: -228.717268
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -41.530
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -59.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -738.234061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.234061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.234061 (E_RNA)
where:
Base-Base interactions energy: -510.841
where: short stacking energy: -224.403
Base-Backbone interact. energy: -1.042
local terms energy: -226.351271
where:
bonds (distance) C4'-P energy: -41.926
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -46.369
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -58.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -441.585516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.585516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.585516 (E_RNA)
where:
Base-Base interactions energy: -276.693
where: short stacking energy: -137.281
Base-Backbone interact. energy: 0.538
local terms energy: -165.430853
where:
bonds (distance) C4'-P energy: -36.717
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -216.770270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.770270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.770270 (E_RNA)
where:
Base-Base interactions energy: -74.013
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.699
local terms energy: -142.058383
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: 4.774
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: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -957.119967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.119967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.119967 (E_RNA)
where:
Base-Base interactions energy: -656.239
where: short stacking energy: -286.598
Base-Backbone interact. energy: -0.732
local terms energy: -300.148573
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -50.277
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -49.217
tors. eta vs tors. theta energy: -92.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -947.917106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.917106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.917106 (E_RNA)
where:
Base-Base interactions energy: -664.226
where: short stacking energy: -283.067
Base-Backbone interact. energy: -1.598
local terms energy: -282.093110
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -82.589
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -883.331094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.331094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.331094 (E_RNA)
where:
Base-Base interactions energy: -602.635
where: short stacking energy: -260.409
Base-Backbone interact. energy: -1.088
local terms energy: -279.608382
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -58.410
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -72.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -842.020798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.020798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.020798 (E_RNA)
where:
Base-Base interactions energy: -576.472
where: short stacking energy: -246.204
Base-Backbone interact. energy: 1.392
local terms energy: -266.940205
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -69.455
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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -847.744866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.744866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.744866 (E_RNA)
where:
Base-Base interactions energy: -594.372
where: short stacking energy: -248.150
Base-Backbone interact. energy: -0.606
local terms energy: -252.766981
where:
bonds (distance) C4'-P energy: -52.700
bonds (distance) P-C4' energy: -45.850
flat angles C4'-P-C4' energy: -45.708
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -814.582010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.582010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.582010 (E_RNA)
where:
Base-Base interactions energy: -572.265
where: short stacking energy: -237.159
Base-Backbone interact. energy: -0.507
local terms energy: -241.810782
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -48.098
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: -68.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -716.630429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.630429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.630429 (E_RNA)
where:
Base-Base interactions energy: -513.159
where: short stacking energy: -207.123
Base-Backbone interact. energy: -0.346
local terms energy: -203.125089
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -43.666
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -51.975
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: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -769.082432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.082432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.082432 (E_RNA)
where:
Base-Base interactions energy: -525.906
where: short stacking energy: -242.309
Base-Backbone interact. energy: -0.428
local terms energy: -242.747705
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -50.114
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -65.400
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -435.242252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.242252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.242252 (E_RNA)
where:
Base-Base interactions energy: -256.151
where: short stacking energy: -122.045
Base-Backbone interact. energy: -0.553
local terms energy: -178.538372
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -14.934
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: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -284.866267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.866267 (E_RNA)
where:
Base-Base interactions energy: -138.018
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.783
local terms energy: -146.064604
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -950.716739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.716739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.716739 (E_RNA)
where:
Base-Base interactions energy: -650.693
where: short stacking energy: -292.329
Base-Backbone interact. energy: -0.212
local terms energy: -299.811974
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -58.429
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: -85.230
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -943.262478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.262478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.262478 (E_RNA)
where:
Base-Base interactions energy: -648.232
where: short stacking energy: -289.905
Base-Backbone interact. energy: -1.487
local terms energy: -293.543362
where:
bonds (distance) C4'-P energy: -56.268
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -86.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -880.243778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.243778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.243778 (E_RNA)
where:
Base-Base interactions energy: -603.586
where: short stacking energy: -264.068
Base-Backbone interact. energy: -1.067
local terms energy: -275.590509
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -59.037
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -74.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -849.045484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.045484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.045484 (E_RNA)
where:
Base-Base interactions energy: -609.222
where: short stacking energy: -244.453
Base-Backbone interact. energy: -0.616
local terms energy: -239.207486
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -63.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -836.362598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.362598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.362598 (E_RNA)
where:
Base-Base interactions energy: -578.639
where: short stacking energy: -245.123
Base-Backbone interact. energy: -2.593
local terms energy: -255.130801
where:
bonds (distance) C4'-P energy: -45.819
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: -68.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -796.375368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.375368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.375368 (E_RNA)
where:
Base-Base interactions energy: -533.144
where: short stacking energy: -233.561
Base-Backbone interact. energy: -0.510
local terms energy: -262.721120
where:
bonds (distance) C4'-P energy: -55.115
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -75.357
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -733.362508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.362508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.362508 (E_RNA)
where:
Base-Base interactions energy: -501.794
where: short stacking energy: -202.929
Base-Backbone interact. energy: 0.198
local terms energy: -231.767002
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -48.869
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -56.650
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: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -747.916169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.916169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.916169 (E_RNA)
where:
Base-Base interactions energy: -527.181
where: short stacking energy: -215.385
Base-Backbone interact. energy: -0.360
local terms energy: -220.375528
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -39.242
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -54.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -446.674014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.674014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.674014 (E_RNA)
where:
Base-Base interactions energy: -250.926
where: short stacking energy: -122.025
Base-Backbone interact. energy: 0.029
local terms energy: -195.777680
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: -20.092
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: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -241.078850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.078850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.078850 (E_RNA)
where:
Base-Base interactions energy: -106.442
where: short stacking energy: -65.933
Base-Backbone interact. energy: 0.842
local terms energy: -135.479311
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -32.879
tors. eta vs tors. theta energy: 9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -966.329566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.329566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.329566 (E_RNA)
where:
Base-Base interactions energy: -664.788
where: short stacking energy: -285.687
Base-Backbone interact. energy: -0.696
local terms energy: -300.845588
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -81.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -893.077526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.077526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.077526 (E_RNA)
where:
Base-Base interactions energy: -618.549
where: short stacking energy: -277.825
Base-Backbone interact. energy: -0.945
local terms energy: -273.583650
where:
bonds (distance) C4'-P energy: -51.163
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -82.345
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -937.347328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.347328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.347328 (E_RNA)
where:
Base-Base interactions energy: -643.599
where: short stacking energy: -280.806
Base-Backbone interact. energy: -0.892
local terms energy: -292.856076
where:
bonds (distance) C4'-P energy: -54.236
bonds (distance) P-C4' energy: -60.081
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -43.894
tors. eta vs tors. theta energy: -82.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -841.364712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.364712 (E_RNA)
where:
Base-Base interactions energy: -559.938
where: short stacking energy: -241.677
Base-Backbone interact. energy: -1.891
local terms energy: -279.535475
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -58.767
flat angles P-C4'-P energy: -46.137
tors. eta vs tors. theta energy: -68.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -802.480892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.480892 (E_RNA)
where:
Base-Base interactions energy: -542.561
where: short stacking energy: -224.600
Base-Backbone interact. energy: 0.149
local terms energy: -260.068795
where:
bonds (distance) C4'-P energy: -49.938
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -59.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -791.775705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.775705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.775705 (E_RNA)
where:
Base-Base interactions energy: -549.992
where: short stacking energy: -241.461
Base-Backbone interact. energy: -1.174
local terms energy: -240.609774
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -44.322
flat angles C4'-P-C4' energy: -55.550
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -67.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -770.854799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.854799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.854799 (E_RNA)
where:
Base-Base interactions energy: -537.135
where: short stacking energy: -233.857
Base-Backbone interact. energy: -0.910
local terms energy: -232.809432
where:
bonds (distance) C4'-P energy: -49.078
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -709.544024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.544024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.544024 (E_RNA)
where:
Base-Base interactions energy: -477.037
where: short stacking energy: -203.365
Base-Backbone interact. energy: 0.768
local terms energy: -233.274603
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -48.588
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -63.143
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -490.907330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.907330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.907330 (E_RNA)
where:
Base-Base interactions energy: -314.154
where: short stacking energy: -147.387
Base-Backbone interact. energy: -0.370
local terms energy: -176.383959
where:
bonds (distance) C4'-P energy: -42.055
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -36.913
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -217.556675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.556675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.556675 (E_RNA)
where:
Base-Base interactions energy: -76.595
where: short stacking energy: -68.486
Base-Backbone interact. energy: 0.166
local terms energy: -141.127944
where:
bonds (distance) C4'-P energy: -48.297
bonds (distance) P-C4' energy: -50.478
flat angles C4'-P-C4' energy: -38.337
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: 18.117
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: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -994.103861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.103861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.103861 (E_RNA)
where:
Base-Base interactions energy: -696.986
where: short stacking energy: -297.875
Base-Backbone interact. energy: -1.059
local terms energy: -296.058643
where:
bonds (distance) C4'-P energy: -56.469
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -63.016
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: -87.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -892.433618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.433618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.433618 (E_RNA)
where:
Base-Base interactions energy: -617.484
where: short stacking energy: -278.679
Base-Backbone interact. energy: -1.453
local terms energy: -273.496906
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -57.742
flat angles C4'-P-C4' energy: -53.564
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -77.492
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -928.438799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.438799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.438799 (E_RNA)
where:
Base-Base interactions energy: -645.465
where: short stacking energy: -276.714
Base-Backbone interact. energy: -0.492
local terms energy: -282.481974
where:
bonds (distance) C4'-P energy: -45.699
bonds (distance) P-C4' energy: -59.214
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -83.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -851.526567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.526567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.526567 (E_RNA)
where:
Base-Base interactions energy: -582.460
where: short stacking energy: -241.888
Base-Backbone interact. energy: 4.529
local terms energy: -273.595370
where:
bonds (distance) C4'-P energy: -51.484
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -796.504243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.504243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.504243 (E_RNA)
where:
Base-Base interactions energy: -551.759
where: short stacking energy: -233.198
Base-Backbone interact. energy: -0.966
local terms energy: -243.778836
where:
bonds (distance) C4'-P energy: -55.622
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -45.699
flat angles P-C4'-P energy: -28.548
tors. eta vs tors. theta energy: -67.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -788.987832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.987832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.987832 (E_RNA)
where:
Base-Base interactions energy: -549.938
where: short stacking energy: -240.556
Base-Backbone interact. energy: -0.659
local terms energy: -238.390779
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -49.868
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -65.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -780.915434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.915434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.915434 (E_RNA)
where:
Base-Base interactions energy: -544.542
where: short stacking energy: -234.685
Base-Backbone interact. energy: -0.424
local terms energy: -235.949353
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -53.446
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -66.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -735.678425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.678425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.678425 (E_RNA)
where:
Base-Base interactions energy: -497.949
where: short stacking energy: -211.173
Base-Backbone interact. energy: -2.694
local terms energy: -235.035475
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -43.870
flat angles C4'-P-C4' energy: -50.864
flat angles P-C4'-P energy: -31.113
tors. eta vs tors. theta energy: -57.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -502.245674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.245674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.245674 (E_RNA)
where:
Base-Base interactions energy: -296.534
where: short stacking energy: -142.471
Base-Backbone interact. energy: -0.782
local terms energy: -204.930231
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -50.895
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -232.220364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.220364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.220364 (E_RNA)
where:
Base-Base interactions energy: -85.328
where: short stacking energy: -73.657
Base-Backbone interact. energy: -1.030
local terms energy: -145.862570
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: 2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -963.984440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.984440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.984440 (E_RNA)
where:
Base-Base interactions energy: -666.847
where: short stacking energy: -280.857
Base-Backbone interact. energy: -0.700
local terms energy: -296.438079
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -51.630
flat angles C4'-P-C4' energy: -56.444
flat angles P-C4'-P energy: -52.701
tors. eta vs tors. theta energy: -80.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -946.562406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.562406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.562406 (E_RNA)
where:
Base-Base interactions energy: -660.668
where: short stacking energy: -294.915
Base-Backbone interact. energy: -0.464
local terms energy: -285.429627
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -57.391
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -87.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -889.812251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.812251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.812251 (E_RNA)
where:
Base-Base interactions energy: -601.595
where: short stacking energy: -260.417
Base-Backbone interact. energy: 0.007
local terms energy: -288.223943
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -81.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -854.325831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.325831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.325831 (E_RNA)
where:
Base-Base interactions energy: -591.680
where: short stacking energy: -271.286
Base-Backbone interact. energy: -0.085
local terms energy: -262.561257
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -52.187
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -79.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -809.551243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.551243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.551243 (E_RNA)
where:
Base-Base interactions energy: -565.151
where: short stacking energy: -237.221
Base-Backbone interact. energy: 2.103
local terms energy: -246.503338
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -70.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -802.411625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.411625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.411625 (E_RNA)
where:
Base-Base interactions energy: -559.938
where: short stacking energy: -244.270
Base-Backbone interact. energy: 0.794
local terms energy: -243.267435
where:
bonds (distance) C4'-P energy: -44.148
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -50.727
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -60.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -780.581505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.581505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.581505 (E_RNA)
where:
Base-Base interactions energy: -538.949
where: short stacking energy: -215.814
Base-Backbone interact. energy: -0.370
local terms energy: -241.263481
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -50.648
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -65.826
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: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -753.732510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.732510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.732510 (E_RNA)
where:
Base-Base interactions energy: -524.372
where: short stacking energy: -212.737
Base-Backbone interact. energy: -1.014
local terms energy: -228.346781
where:
bonds (distance) C4'-P energy: -39.332
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -58.478
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -52.855
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: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -489.093478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.093478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.093478 (E_RNA)
where:
Base-Base interactions energy: -299.979
where: short stacking energy: -146.466
Base-Backbone interact. energy: 0.504
local terms energy: -189.619119
where:
bonds (distance) C4'-P energy: -40.264
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -35.167
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: 141
Temperature: 1.350000
Total energy: -222.746540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.746540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.746540 (E_RNA)
where:
Base-Base interactions energy: -74.226
where: short stacking energy: -70.410
Base-Backbone interact. energy: -0.420
local terms energy: -148.100744
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -52.616
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -955.241593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.241593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.241593 (E_RNA)
where:
Base-Base interactions energy: -667.593
where: short stacking energy: -293.662
Base-Backbone interact. energy: 0.438
local terms energy: -288.086929
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -41.288
tors. eta vs tors. theta energy: -87.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -969.700989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.700989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.700989 (E_RNA)
where:
Base-Base interactions energy: -665.100
where: short stacking energy: -279.179
Base-Backbone interact. energy: -0.901
local terms energy: -303.700378
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -60.001
flat angles C4'-P-C4' energy: -61.066
flat angles P-C4'-P energy: -43.538
tors. eta vs tors. theta energy: -88.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -870.570012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.570012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.570012 (E_RNA)
where:
Base-Base interactions energy: -594.623
where: short stacking energy: -259.239
Base-Backbone interact. energy: -1.263
local terms energy: -274.684068
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -73.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -848.289394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.289394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.289394 (E_RNA)
where:
Base-Base interactions energy: -578.819
where: short stacking energy: -257.210
Base-Backbone interact. energy: -1.019
local terms energy: -268.451524
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -49.312
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -71.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -817.945926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.945926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.945926 (E_RNA)
where:
Base-Base interactions energy: -547.675
where: short stacking energy: -244.472
Base-Backbone interact. energy: -0.431
local terms energy: -269.839477
where:
bonds (distance) C4'-P energy: -51.761
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -58.253
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -72.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -801.322045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.322045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.322045 (E_RNA)
where:
Base-Base interactions energy: -565.215
where: short stacking energy: -235.765
Base-Backbone interact. energy: -0.697
local terms energy: -235.410158
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -49.221
flat angles C4'-P-C4' energy: -52.961
flat angles P-C4'-P energy: -40.080
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -792.017098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.017098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.017098 (E_RNA)
where:
Base-Base interactions energy: -522.238
where: short stacking energy: -232.152
Base-Backbone interact. energy: -0.284
local terms energy: -269.495738
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -66.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -760.613909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.613909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.613909 (E_RNA)
where:
Base-Base interactions energy: -523.086
where: short stacking energy: -223.718
Base-Backbone interact. energy: -1.940
local terms energy: -235.587535
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -65.883
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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -476.219540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.219540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.219540 (E_RNA)
where:
Base-Base interactions energy: -288.099
where: short stacking energy: -137.778
Base-Backbone interact. energy: -0.332
local terms energy: -187.788988
where:
bonds (distance) C4'-P energy: -36.536
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -30.576
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: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -226.771884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771884 (E_RNA)
where:
Base-Base interactions energy: -96.470
where: short stacking energy: -63.004
Base-Backbone interact. energy: 2.691
local terms energy: -132.992556
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -38.541
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: 14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -975.001794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.001794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.001794 (E_RNA)
where:
Base-Base interactions energy: -672.665
where: short stacking energy: -298.570
Base-Backbone interact. energy: -0.288
local terms energy: -302.049110
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -58.523
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -90.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -956.541071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.541071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.541071 (E_RNA)
where:
Base-Base interactions energy: -664.035
where: short stacking energy: -280.618
Base-Backbone interact. energy: -1.202
local terms energy: -291.303562
where:
bonds (distance) C4'-P energy: -50.928
bonds (distance) P-C4' energy: -56.975
flat angles C4'-P-C4' energy: -56.220
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -89.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -860.872787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.872787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.872787 (E_RNA)
where:
Base-Base interactions energy: -579.974
where: short stacking energy: -248.978
Base-Backbone interact. energy: -0.708
local terms energy: -280.191443
where:
bonds (distance) C4'-P energy: -52.136
bonds (distance) P-C4' energy: -60.217
flat angles C4'-P-C4' energy: -57.101
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -72.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -843.494372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.494372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.494372 (E_RNA)
where:
Base-Base interactions energy: -575.225
where: short stacking energy: -250.266
Base-Backbone interact. energy: -0.803
local terms energy: -267.466610
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -35.558
tors. eta vs tors. theta energy: -74.403
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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -788.102815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.102815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.102815 (E_RNA)
where:
Base-Base interactions energy: -536.092
where: short stacking energy: -232.608
Base-Backbone interact. energy: 0.151
local terms energy: -252.161337
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -58.011
flat angles P-C4'-P energy: -34.106
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: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -794.794459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.794459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.794459 (E_RNA)
where:
Base-Base interactions energy: -540.598
where: short stacking energy: -240.147
Base-Backbone interact. energy: -0.010
local terms energy: -254.186382
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -43.466
flat angles C4'-P-C4' energy: -56.979
flat angles P-C4'-P energy: -46.122
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: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -771.006754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.006754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.006754 (E_RNA)
where:
Base-Base interactions energy: -525.625
where: short stacking energy: -244.027
Base-Backbone interact. energy: 0.895
local terms energy: -246.276374
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -52.694
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -760.468863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.468863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.468863 (E_RNA)
where:
Base-Base interactions energy: -500.478
where: short stacking energy: -216.484
Base-Backbone interact. energy: -0.321
local terms energy: -259.669828
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -44.931
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -69.180
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: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -490.575857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.575857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.575857 (E_RNA)
where:
Base-Base interactions energy: -302.374
where: short stacking energy: -151.851
Base-Backbone interact. energy: -0.391
local terms energy: -187.810758
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -308.391060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.391060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.391060 (E_RNA)
where:
Base-Base interactions energy: -156.791
where: short stacking energy: -87.910
Base-Backbone interact. energy: 2.958
local terms energy: -154.558351
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -966.590297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.590297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.590297 (E_RNA)
where:
Base-Base interactions energy: -681.137
where: short stacking energy: -291.099
Base-Backbone interact. energy: -1.213
local terms energy: -284.240857
where:
bonds (distance) C4'-P energy: -53.583
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -55.945
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -88.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -966.557414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.557414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.557414 (E_RNA)
where:
Base-Base interactions energy: -675.707
where: short stacking energy: -288.756
Base-Backbone interact. energy: -0.799
local terms energy: -290.051476
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -55.905
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -85.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -866.970289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.970289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.970289 (E_RNA)
where:
Base-Base interactions energy: -602.709
where: short stacking energy: -265.156
Base-Backbone interact. energy: 0.984
local terms energy: -265.245808
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -56.000
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -74.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -869.164057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.164057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.164057 (E_RNA)
where:
Base-Base interactions energy: -597.037
where: short stacking energy: -265.871
Base-Backbone interact. energy: -0.606
local terms energy: -271.520484
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -58.975
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -74.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -807.249386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.249386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.249386 (E_RNA)
where:
Base-Base interactions energy: -545.385
where: short stacking energy: -230.320
Base-Backbone interact. energy: 0.291
local terms energy: -262.155576
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -51.480
flat angles C4'-P-C4' energy: -60.214
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -56.536
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: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -775.562328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.562328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.562328 (E_RNA)
where:
Base-Base interactions energy: -547.009
where: short stacking energy: -232.817
Base-Backbone interact. energy: -0.447
local terms energy: -228.105881
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -49.596
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -63.079
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: 144
Temperature: 1.200000
Total energy: -787.582819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.582819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.582819 (E_RNA)
where:
Base-Base interactions energy: -541.265
where: short stacking energy: -225.038
Base-Backbone interact. energy: 1.191
local terms energy: -247.509056
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -55.349
flat angles P-C4'-P energy: -33.714
tors. eta vs tors. theta energy: -62.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -766.403881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.403881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.403881 (E_RNA)
where:
Base-Base interactions energy: -513.023
where: short stacking energy: -218.749
Base-Backbone interact. energy: -0.553
local terms energy: -252.827736
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -39.191
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -481.313774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.313774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.313774 (E_RNA)
where:
Base-Base interactions energy: -300.360
where: short stacking energy: -138.296
Base-Backbone interact. energy: 0.479
local terms energy: -181.432065
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -36.340
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: 144
Temperature: 1.350000
Total energy: -288.943730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.943730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.943730 (E_RNA)
where:
Base-Base interactions energy: -120.067
where: short stacking energy: -76.529
Base-Backbone interact. energy: 1.063
local terms energy: -169.940035
where:
bonds (distance) C4'-P energy: -49.105
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -48.944
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: 0.510
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -937.758301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.758301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.758301 (E_RNA)
where:
Base-Base interactions energy: -668.904
where: short stacking energy: -279.399
Base-Backbone interact. energy: -1.124
local terms energy: -267.730304
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -85.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -951.982399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.982399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.982399 (E_RNA)
where:
Base-Base interactions energy: -675.174
where: short stacking energy: -296.730
Base-Backbone interact. energy: 2.376
local terms energy: -279.184220
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -88.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -884.013380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.013380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.013380 (E_RNA)
where:
Base-Base interactions energy: -594.423
where: short stacking energy: -268.262
Base-Backbone interact. energy: -0.250
local terms energy: -289.339649
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -62.330
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -76.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -863.789725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.789725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.789725 (E_RNA)
where:
Base-Base interactions energy: -577.043
where: short stacking energy: -256.854
Base-Backbone interact. energy: -0.280
local terms energy: -286.466985
where:
bonds (distance) C4'-P energy: -54.113
bonds (distance) P-C4' energy: -58.705
flat angles C4'-P-C4' energy: -63.197
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -80.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -809.551335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.551335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.551335 (E_RNA)
where:
Base-Base interactions energy: -582.542
where: short stacking energy: -246.386
Base-Backbone interact. energy: 0.163
local terms energy: -227.173113
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -43.887
flat angles P-C4'-P energy: -32.131
tors. eta vs tors. theta energy: -66.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -782.948440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.948440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.948440 (E_RNA)
where:
Base-Base interactions energy: -531.319
where: short stacking energy: -225.891
Base-Backbone interact. energy: -0.446
local terms energy: -251.183278
where:
bonds (distance) C4'-P energy: -45.822
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -71.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -756.473947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.473947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.473947 (E_RNA)
where:
Base-Base interactions energy: -519.408
where: short stacking energy: -216.108
Base-Backbone interact. energy: 0.599
local terms energy: -237.664665
where:
bonds (distance) C4'-P energy: -45.694
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -56.544
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -61.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -723.721646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.721646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.721646 (E_RNA)
where:
Base-Base interactions energy: -505.678
where: short stacking energy: -222.042
Base-Backbone interact. energy: -0.369
local terms energy: -217.674931
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -46.437
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -57.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -495.301771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.301771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.301771 (E_RNA)
where:
Base-Base interactions energy: -293.197
where: short stacking energy: -141.291
Base-Backbone interact. energy: -0.407
local terms energy: -201.698499
where:
bonds (distance) C4'-P energy: -44.925
bonds (distance) P-C4' energy: -41.596
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -32.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -286.509169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.509169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.509169 (E_RNA)
where:
Base-Base interactions energy: -132.439
where: short stacking energy: -83.985
Base-Backbone interact. energy: -0.446
local terms energy: -153.623337
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -13.755
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: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -942.412577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.412577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.412577 (E_RNA)
where:
Base-Base interactions energy: -654.257
where: short stacking energy: -282.897
Base-Backbone interact. energy: -1.160
local terms energy: -286.995476
where:
bonds (distance) C4'-P energy: -49.920
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -59.627
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -80.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -938.188441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.188441 (E_RNA)
where:
Base-Base interactions energy: -651.784
where: short stacking energy: -279.437
Base-Backbone interact. energy: 0.028
local terms energy: -286.431572
where:
bonds (distance) C4'-P energy: -53.928
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -88.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -898.765444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.765444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.765444 (E_RNA)
where:
Base-Base interactions energy: -616.112
where: short stacking energy: -261.527
Base-Backbone interact. energy: -0.097
local terms energy: -282.556276
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -77.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -836.576936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.576936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.576936 (E_RNA)
where:
Base-Base interactions energy: -583.502
where: short stacking energy: -235.166
Base-Backbone interact. energy: -0.928
local terms energy: -252.147350
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -68.251
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -820.820057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.820057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.820057 (E_RNA)
where:
Base-Base interactions energy: -555.630
where: short stacking energy: -237.213
Base-Backbone interact. energy: -0.609
local terms energy: -264.580743
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -55.188
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -64.814
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: 146
Temperature: 1.150000
Total energy: -798.520172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.520172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.520172 (E_RNA)
where:
Base-Base interactions energy: -547.560
where: short stacking energy: -238.180
Base-Backbone interact. energy: 0.804
local terms energy: -251.764335
where:
bonds (distance) C4'-P energy: -55.540
bonds (distance) P-C4' energy: -47.632
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -69.264
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: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -760.232872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.232872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.232872 (E_RNA)
where:
Base-Base interactions energy: -527.481
where: short stacking energy: -225.887
Base-Backbone interact. energy: -0.690
local terms energy: -232.062647
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -56.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -751.982753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.982753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.982753 (E_RNA)
where:
Base-Base interactions energy: -512.404
where: short stacking energy: -222.455
Base-Backbone interact. energy: -0.690
local terms energy: -238.888542
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -45.625
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -66.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -495.818622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.818622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.818622 (E_RNA)
where:
Base-Base interactions energy: -299.312
where: short stacking energy: -133.510
Base-Backbone interact. energy: -0.587
local terms energy: -195.919093
where:
bonds (distance) C4'-P energy: -35.982
bonds (distance) P-C4' energy: -53.672
flat angles C4'-P-C4' energy: -40.646
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -29.484
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: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -301.120020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.120020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.120020 (E_RNA)
where:
Base-Base interactions energy: -146.371
where: short stacking energy: -94.704
Base-Backbone interact. energy: -0.733
local terms energy: -154.015788
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -43.324
flat angles C4'-P-C4' energy: -38.322
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: 1.164
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: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -953.753581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.753581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.753581 (E_RNA)
where:
Base-Base interactions energy: -658.644
where: short stacking energy: -284.575
Base-Backbone interact. energy: -0.315
local terms energy: -294.795037
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -57.531
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -83.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -951.548771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.548771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.548771 (E_RNA)
where:
Base-Base interactions energy: -654.413
where: short stacking energy: -275.159
Base-Backbone interact. energy: -0.684
local terms energy: -296.451607
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -54.733
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -89.078
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: 147
Temperature: 1.000000
Total energy: -879.289398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.289398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.289398 (E_RNA)
where:
Base-Base interactions energy: -601.686
where: short stacking energy: -258.373
Base-Backbone interact. energy: 0.157
local terms energy: -277.760685
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -52.463
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -77.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -833.643388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.643388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.643388 (E_RNA)
where:
Base-Base interactions energy: -577.370
where: short stacking energy: -254.416
Base-Backbone interact. energy: -0.407
local terms energy: -255.866412
where:
bonds (distance) C4'-P energy: -48.689
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -56.318
flat angles P-C4'-P energy: -34.366
tors. eta vs tors. theta energy: -69.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -886.509132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.509132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.509132 (E_RNA)
where:
Base-Base interactions energy: -623.996
where: short stacking energy: -264.531
Base-Backbone interact. energy: -0.960
local terms energy: -261.553480
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -57.158
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -76.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -794.966902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.966902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.966902 (E_RNA)
where:
Base-Base interactions energy: -541.367
where: short stacking energy: -246.981
Base-Backbone interact. energy: -0.305
local terms energy: -253.294994
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -58.280
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -71.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -785.413296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.413296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.413296 (E_RNA)
where:
Base-Base interactions energy: -546.368
where: short stacking energy: -232.039
Base-Backbone interact. energy: 0.794
local terms energy: -239.839798
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -49.131
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -61.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -733.188976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.188976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.188976 (E_RNA)
where:
Base-Base interactions energy: -506.689
where: short stacking energy: -220.600
Base-Backbone interact. energy: -1.338
local terms energy: -225.161752
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -38.146
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: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -493.506592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.506592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.506592 (E_RNA)
where:
Base-Base interactions energy: -312.972
where: short stacking energy: -146.683
Base-Backbone interact. energy: 0.694
local terms energy: -181.228845
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -30.753
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: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -285.112134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.112134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.112134 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.926
local terms energy: -151.002238
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -43.987
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: 3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -972.319796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.319796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.319796 (E_RNA)
where:
Base-Base interactions energy: -670.414
where: short stacking energy: -295.555
Base-Backbone interact. energy: 1.362
local terms energy: -303.267572
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -51.043
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -85.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -946.431203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.431203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.431203 (E_RNA)
where:
Base-Base interactions energy: -651.325
where: short stacking energy: -288.704
Base-Backbone interact. energy: -1.267
local terms energy: -293.838579
where:
bonds (distance) C4'-P energy: -55.187
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -87.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -865.809267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.809267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.809267 (E_RNA)
where:
Base-Base interactions energy: -594.335
where: short stacking energy: -251.173
Base-Backbone interact. energy: 0.232
local terms energy: -271.706000
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -74.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -833.651819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.651819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.651819 (E_RNA)
where:
Base-Base interactions energy: -584.560
where: short stacking energy: -246.422
Base-Backbone interact. energy: -0.895
local terms energy: -248.196422
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -53.348
flat angles C4'-P-C4' energy: -50.203
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -62.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -870.328407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.328407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.328407 (E_RNA)
where:
Base-Base interactions energy: -603.438
where: short stacking energy: -265.579
Base-Backbone interact. energy: -0.439
local terms energy: -266.451166
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -55.207
flat angles C4'-P-C4' energy: -56.175
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -78.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -811.371417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.371417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.371417 (E_RNA)
where:
Base-Base interactions energy: -553.516
where: short stacking energy: -243.914
Base-Backbone interact. energy: -0.431
local terms energy: -257.424273
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: -65.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -785.701109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.701109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.701109 (E_RNA)
where:
Base-Base interactions energy: -544.103
where: short stacking energy: -227.531
Base-Backbone interact. energy: -0.652
local terms energy: -240.945926
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -58.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -731.424846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.424846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.424846 (E_RNA)
where:
Base-Base interactions energy: -506.244
where: short stacking energy: -206.676
Base-Backbone interact. energy: 2.797
local terms energy: -227.977080
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -493.069501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.069501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.069501 (E_RNA)
where:
Base-Base interactions energy: -315.410
where: short stacking energy: -157.550
Base-Backbone interact. energy: 2.598
local terms energy: -180.257627
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -44.442
flat angles C4'-P-C4' energy: -41.603
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -26.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -294.870041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.870041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.870041 (E_RNA)
where:
Base-Base interactions energy: -145.474
where: short stacking energy: -91.710
Base-Backbone interact. energy: -0.391
local terms energy: -149.005147
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -39.989
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -982.181744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.181744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.181744 (E_RNA)
where:
Base-Base interactions energy: -680.618
where: short stacking energy: -295.954
Base-Backbone interact. energy: -0.992
local terms energy: -300.571721
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -57.152
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -45.754
tors. eta vs tors. theta energy: -85.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -952.084925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.084925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.084925 (E_RNA)
where:
Base-Base interactions energy: -664.876
where: short stacking energy: -288.980
Base-Backbone interact. energy: -0.085
local terms energy: -287.123877
where:
bonds (distance) C4'-P energy: -41.432
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -64.374
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -881.151011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.151011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.151011 (E_RNA)
where:
Base-Base interactions energy: -603.213
where: short stacking energy: -265.940
Base-Backbone interact. energy: -1.128
local terms energy: -276.810773
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -44.109
flat angles C4'-P-C4' energy: -60.389
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -82.682
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: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -829.194421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.194421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.194421 (E_RNA)
where:
Base-Base interactions energy: -563.998
where: short stacking energy: -238.094
Base-Backbone interact. energy: -0.884
local terms energy: -264.311469
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -71.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -830.816141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.816141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.816141 (E_RNA)
where:
Base-Base interactions energy: -554.509
where: short stacking energy: -242.281
Base-Backbone interact. energy: -0.647
local terms energy: -275.660029
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -43.723
tors. eta vs tors. theta energy: -71.868
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -809.172176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.172176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.172176 (E_RNA)
where:
Base-Base interactions energy: -564.104
where: short stacking energy: -244.698
Base-Backbone interact. energy: -0.233
local terms energy: -244.835047
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -52.853
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -75.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -773.318288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.318288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.318288 (E_RNA)
where:
Base-Base interactions energy: -532.705
where: short stacking energy: -239.855
Base-Backbone interact. energy: 0.819
local terms energy: -241.432534
where:
bonds (distance) C4'-P energy: -41.708
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -52.181
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -69.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -727.424532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.424532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.424532 (E_RNA)
where:
Base-Base interactions energy: -493.772
where: short stacking energy: -200.491
Base-Backbone interact. energy: -0.717
local terms energy: -232.936232
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -43.743
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -30.981
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: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -519.184456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.184456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.184456 (E_RNA)
where:
Base-Base interactions energy: -337.931
where: short stacking energy: -147.390
Base-Backbone interact. energy: -0.634
local terms energy: -180.619027
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -51.960
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -32.903
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: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -274.416537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.416537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.416537 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -68.397
Base-Backbone interact. energy: 2.563
local terms energy: -165.845868
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -980.094534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.094534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.094534 (E_RNA)
where:
Base-Base interactions energy: -693.629
where: short stacking energy: -302.940
Base-Backbone interact. energy: 6.132
local terms energy: -292.597217
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -83.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -953.515474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.515474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.515474 (E_RNA)
where:
Base-Base interactions energy: -662.163
where: short stacking energy: -287.614
Base-Backbone interact. energy: -1.350
local terms energy: -290.002552
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -46.196
flat angles C4'-P-C4' energy: -62.894
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -83.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -874.340228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.340228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.340228 (E_RNA)
where:
Base-Base interactions energy: -594.650
where: short stacking energy: -266.992
Base-Backbone interact. energy: -0.436
local terms energy: -279.254258
where:
bonds (distance) C4'-P energy: -53.901
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -77.081
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: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -817.334768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.334768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.334768 (E_RNA)
where:
Base-Base interactions energy: -556.855
where: short stacking energy: -240.414
Base-Backbone interact. energy: 1.807
local terms energy: -262.287208
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -33.826
tors. eta vs tors. theta energy: -75.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -817.632522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.632522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.632522 (E_RNA)
where:
Base-Base interactions energy: -565.096
where: short stacking energy: -234.359
Base-Backbone interact. energy: -0.329
local terms energy: -252.207364
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -814.784051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.784051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.784051 (E_RNA)
where:
Base-Base interactions energy: -560.135
where: short stacking energy: -263.226
Base-Backbone interact. energy: 0.525
local terms energy: -255.174854
where:
bonds (distance) C4'-P energy: -48.244
bonds (distance) P-C4' energy: -43.151
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -71.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -762.722919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.722919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.722919 (E_RNA)
where:
Base-Base interactions energy: -523.363
where: short stacking energy: -215.087
Base-Backbone interact. energy: 1.268
local terms energy: -240.627783
where:
bonds (distance) C4'-P energy: -50.514
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -61.835
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: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -778.972150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.972150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.972150 (E_RNA)
where:
Base-Base interactions energy: -543.979
where: short stacking energy: -221.186
Base-Backbone interact. energy: -2.005
local terms energy: -232.987961
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -42.452
tors. eta vs tors. theta energy: -55.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -524.684061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.684061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.684061 (E_RNA)
where:
Base-Base interactions energy: -307.642
where: short stacking energy: -140.445
Base-Backbone interact. energy: 0.270
local terms energy: -217.312407
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: -36.645
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: 150
Temperature: 1.350000
Total energy: -281.444632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.444632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.444632 (E_RNA)
where:
Base-Base interactions energy: -131.357
where: short stacking energy: -68.885
Base-Backbone interact. energy: 1.302
local terms energy: -151.389423
where:
bonds (distance) C4'-P energy: -41.029
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -41.100
flat angles P-C4'-P energy: -30.385
tors. eta vs tors. theta energy: 2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -979.393126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.393126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.393126 (E_RNA)
where:
Base-Base interactions energy: -685.035
where: short stacking energy: -310.951
Base-Backbone interact. energy: -0.734
local terms energy: -293.624427
where:
bonds (distance) C4'-P energy: -54.752
bonds (distance) P-C4' energy: -43.425
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -88.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -941.258187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.258187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.258187 (E_RNA)
where:
Base-Base interactions energy: -648.744
where: short stacking energy: -278.320
Base-Backbone interact. energy: -0.511
local terms energy: -292.003409
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -83.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -872.508540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.508540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.508540 (E_RNA)
where:
Base-Base interactions energy: -586.429
where: short stacking energy: -265.237
Base-Backbone interact. energy: -0.415
local terms energy: -285.665030
where:
bonds (distance) C4'-P energy: -51.200
bonds (distance) P-C4' energy: -58.533
flat angles C4'-P-C4' energy: -55.370
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -77.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -828.711830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.711830 (E_RNA)
where:
Base-Base interactions energy: -562.338
where: short stacking energy: -246.037
Base-Backbone interact. energy: -0.128
local terms energy: -266.246210
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -59.243
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -71.631
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -806.261853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.261853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.261853 (E_RNA)
where:
Base-Base interactions energy: -558.512
where: short stacking energy: -245.218
Base-Backbone interact. energy: 0.700
local terms energy: -248.450115
where:
bonds (distance) C4'-P energy: -48.482
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -48.179
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -62.553
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: 151
Temperature: 1.150000
Total energy: -775.583178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.583178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.583178 (E_RNA)
where:
Base-Base interactions energy: -546.543
where: short stacking energy: -231.566
Base-Backbone interact. energy: -0.289
local terms energy: -228.751125
where:
bonds (distance) C4'-P energy: -42.944
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -59.195
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -773.618709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.618709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.618709 (E_RNA)
where:
Base-Base interactions energy: -545.177
where: short stacking energy: -227.346
Base-Backbone interact. energy: 1.233
local terms energy: -229.674716
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -65.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -785.294872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.294872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.294872 (E_RNA)
where:
Base-Base interactions energy: -555.150
where: short stacking energy: -224.290
Base-Backbone interact. energy: -0.217
local terms energy: -229.928563
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -38.336
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -60.177
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: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -542.053774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.053774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.053774 (E_RNA)
where:
Base-Base interactions energy: -358.069
where: short stacking energy: -163.030
Base-Backbone interact. energy: -0.727
local terms energy: -183.258142
where:
bonds (distance) C4'-P energy: -42.021
bonds (distance) P-C4' energy: -34.185
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -34.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -285.943379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.943379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.943379 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -79.574
Base-Backbone interact. energy: 0.249
local terms energy: -160.003673
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -44.785
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -1.216
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: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -966.909300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.909300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.909300 (E_RNA)
where:
Base-Base interactions energy: -670.024
where: short stacking energy: -301.256
Base-Backbone interact. energy: -0.679
local terms energy: -296.207111
where:
bonds (distance) C4'-P energy: -49.858
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -92.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -953.211913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.211913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.211913 (E_RNA)
where:
Base-Base interactions energy: -656.650
where: short stacking energy: -287.550
Base-Backbone interact. energy: -1.241
local terms energy: -295.321094
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -89.079
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -827.724488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.724488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.724488 (E_RNA)
where:
Base-Base interactions energy: -562.872
where: short stacking energy: -254.195
Base-Backbone interact. energy: 0.901
local terms energy: -265.752783
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -44.521
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -71.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -853.663394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.663394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.663394 (E_RNA)
where:
Base-Base interactions energy: -580.449
where: short stacking energy: -259.057
Base-Backbone interact. energy: 1.821
local terms energy: -275.035013
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -49.825
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -38.086
tors. eta vs tors. theta energy: -79.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -825.280555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.280555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.280555 (E_RNA)
where:
Base-Base interactions energy: -549.033
where: short stacking energy: -234.390
Base-Backbone interact. energy: -1.688
local terms energy: -274.559855
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -46.375
tors. eta vs tors. theta energy: -68.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -788.974484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.974484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.974484 (E_RNA)
where:
Base-Base interactions energy: -536.614
where: short stacking energy: -233.733
Base-Backbone interact. energy: -0.393
local terms energy: -251.967862
where:
bonds (distance) C4'-P energy: -44.829
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: -68.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -746.627526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.627526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.627526 (E_RNA)
where:
Base-Base interactions energy: -513.327
where: short stacking energy: -224.021
Base-Backbone interact. energy: -0.764
local terms energy: -232.536036
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: -63.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -733.175413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.175413 (E_RNA)
where:
Base-Base interactions energy: -506.086
where: short stacking energy: -205.231
Base-Backbone interact. energy: -1.358
local terms energy: -225.731713
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -57.649
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: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -509.489708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.489708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.489708 (E_RNA)
where:
Base-Base interactions energy: -327.840
where: short stacking energy: -145.343
Base-Backbone interact. energy: -1.927
local terms energy: -179.722892
where:
bonds (distance) C4'-P energy: -40.141
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -31.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -279.953131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.953131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.953131 (E_RNA)
where:
Base-Base interactions energy: -113.209
where: short stacking energy: -68.389
Base-Backbone interact. energy: 1.707
local terms energy: -168.451454
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -959.318767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.318767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.318767 (E_RNA)
where:
Base-Base interactions energy: -653.308
where: short stacking energy: -289.720
Base-Backbone interact. energy: -1.046
local terms energy: -304.964956
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -49.091
flat angles C4'-P-C4' energy: -64.140
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -87.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -949.895150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.895150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.895150 (E_RNA)
where:
Base-Base interactions energy: -656.217
where: short stacking energy: -284.450
Base-Backbone interact. energy: -0.409
local terms energy: -293.269422
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -54.965
flat angles C4'-P-C4' energy: -63.471
flat angles P-C4'-P energy: -42.842
tors. eta vs tors. theta energy: -89.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -830.886198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.886198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.886198 (E_RNA)
where:
Base-Base interactions energy: -574.376
where: short stacking energy: -260.496
Base-Backbone interact. energy: 0.040
local terms energy: -256.550233
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -38.558
tors. eta vs tors. theta energy: -67.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -858.103311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.103311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.103311 (E_RNA)
where:
Base-Base interactions energy: -582.364
where: short stacking energy: -249.092
Base-Backbone interact. energy: -0.477
local terms energy: -275.262863
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -55.464
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -811.361934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.361934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.361934 (E_RNA)
where:
Base-Base interactions energy: -551.701
where: short stacking energy: -237.697
Base-Backbone interact. energy: -1.008
local terms energy: -258.652546
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -64.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -793.656107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.656107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.656107 (E_RNA)
where:
Base-Base interactions energy: -566.373
where: short stacking energy: -246.911
Base-Backbone interact. energy: -0.425
local terms energy: -226.857686
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -38.932
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -63.854
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: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -723.629636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.629636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.629636 (E_RNA)
where:
Base-Base interactions energy: -495.166
where: short stacking energy: -200.047
Base-Backbone interact. energy: -0.479
local terms energy: -227.984978
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -44.044
flat angles C4'-P-C4' energy: -57.958
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: -52.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -710.016346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.016346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.016346 (E_RNA)
where:
Base-Base interactions energy: -499.958
where: short stacking energy: -210.910
Base-Backbone interact. energy: 0.099
local terms energy: -210.156885
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -45.033
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: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -516.291806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.291806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.291806 (E_RNA)
where:
Base-Base interactions energy: -311.034
where: short stacking energy: -141.980
Base-Backbone interact. energy: -0.488
local terms energy: -204.769850
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -42.305
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -38.359
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: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -283.610616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.610616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.610616 (E_RNA)
where:
Base-Base interactions energy: -128.671
where: short stacking energy: -81.924
Base-Backbone interact. energy: 5.280
local terms energy: -160.219268
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -3.711
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: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -954.958099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.958099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.958099 (E_RNA)
where:
Base-Base interactions energy: -660.075
where: short stacking energy: -293.313
Base-Backbone interact. energy: -1.466
local terms energy: -293.416652
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -88.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -949.944119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.944119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.944119 (E_RNA)
where:
Base-Base interactions energy: -657.558
where: short stacking energy: -280.138
Base-Backbone interact. energy: -1.587
local terms energy: -290.799101
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -55.652
flat angles C4'-P-C4' energy: -58.145
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -85.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -882.887139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.887139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.887139 (E_RNA)
where:
Base-Base interactions energy: -596.223
where: short stacking energy: -259.993
Base-Backbone interact. energy: 0.235
local terms energy: -286.898955
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -65.656
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -77.362
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: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -830.218312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.218312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.218312 (E_RNA)
where:
Base-Base interactions energy: -579.078
where: short stacking energy: -243.725
Base-Backbone interact. energy: -0.325
local terms energy: -250.816126
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -68.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -839.761440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.761440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.761440 (E_RNA)
where:
Base-Base interactions energy: -591.089
where: short stacking energy: -254.399
Base-Backbone interact. energy: -0.760
local terms energy: -247.912630
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -75.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -792.792574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.792574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.792574 (E_RNA)
where:
Base-Base interactions energy: -533.760
where: short stacking energy: -241.365
Base-Backbone interact. energy: 0.570
local terms energy: -259.602997
where:
bonds (distance) C4'-P energy: -46.709
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -70.848
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: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -779.159242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.159242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.159242 (E_RNA)
where:
Base-Base interactions energy: -530.790
where: short stacking energy: -236.162
Base-Backbone interact. energy: 1.086
local terms energy: -249.455636
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -49.663
flat angles P-C4'-P energy: -42.525
tors. eta vs tors. theta energy: -65.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -724.128381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.128381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.128381 (E_RNA)
where:
Base-Base interactions energy: -499.444
where: short stacking energy: -190.038
Base-Backbone interact. energy: -1.560
local terms energy: -223.123768
where:
bonds (distance) C4'-P energy: -41.058
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: -52.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -507.732186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.732186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.732186 (E_RNA)
where:
Base-Base interactions energy: -321.820
where: short stacking energy: -150.981
Base-Backbone interact. energy: -1.054
local terms energy: -184.857694
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -48.966
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -302.486605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.486605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.486605 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -82.097
Base-Backbone interact. energy: 0.382
local terms energy: -167.604016
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -47.935
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -9.583
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: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -969.597245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.597245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.597245 (E_RNA)
where:
Base-Base interactions energy: -674.762
where: short stacking energy: -299.452
Base-Backbone interact. energy: -0.225
local terms energy: -294.609708
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -52.049
flat angles C4'-P-C4' energy: -64.725
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -91.661
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: 155
Temperature: 0.950000
Total energy: -968.180385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.180385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.180385 (E_RNA)
where:
Base-Base interactions energy: -672.422
where: short stacking energy: -278.374
Base-Backbone interact. energy: -0.927
local terms energy: -294.831900
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -54.144
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -84.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -858.028723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.028723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.028723 (E_RNA)
where:
Base-Base interactions energy: -593.576
where: short stacking energy: -262.922
Base-Backbone interact. energy: 0.234
local terms energy: -264.687453
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -38.284
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: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -818.582935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.582935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.582935 (E_RNA)
where:
Base-Base interactions energy: -548.467
where: short stacking energy: -239.984
Base-Backbone interact. energy: -1.739
local terms energy: -268.376053
where:
bonds (distance) C4'-P energy: -49.221
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -54.209
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -66.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -829.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.540287 (E_RNA)
where:
Base-Base interactions energy: -563.579
where: short stacking energy: -237.449
Base-Backbone interact. energy: -0.788
local terms energy: -265.173011
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -42.681
flat angles C4'-P-C4' energy: -61.310
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -74.550
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: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -771.732491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.732491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.732491 (E_RNA)
where:
Base-Base interactions energy: -536.575
where: short stacking energy: -230.336
Base-Backbone interact. energy: 4.595
local terms energy: -239.752733
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -40.001
tors. eta vs tors. theta energy: -65.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -756.161833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.161833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.161833 (E_RNA)
where:
Base-Base interactions energy: -515.972
where: short stacking energy: -228.636
Base-Backbone interact. energy: 1.267
local terms energy: -241.456763
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -50.233
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -69.519
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: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -682.955878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.955878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.955878 (E_RNA)
where:
Base-Base interactions energy: -481.481
where: short stacking energy: -177.220
Base-Backbone interact. energy: -1.757
local terms energy: -199.718039
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -49.540
flat angles C4'-P-C4' energy: -50.386
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -46.253
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: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -492.029055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.029055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.029055 (E_RNA)
where:
Base-Base interactions energy: -289.883
where: short stacking energy: -135.188
Base-Backbone interact. energy: -0.504
local terms energy: -201.642332
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -34.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -267.816355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.816355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.816355 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -74.943
Base-Backbone interact. energy: -1.067
local terms energy: -139.106988
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -36.544
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -970.962534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.962534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.962534 (E_RNA)
where:
Base-Base interactions energy: -666.314
where: short stacking energy: -286.857
Base-Backbone interact. energy: -0.839
local terms energy: -303.809725
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: -88.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -938.448363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.448363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.448363 (E_RNA)
where:
Base-Base interactions energy: -649.025
where: short stacking energy: -282.575
Base-Backbone interact. energy: 0.003
local terms energy: -289.426953
where:
bonds (distance) C4'-P energy: -52.505
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -875.227267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.227267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.227267 (E_RNA)
where:
Base-Base interactions energy: -601.243
where: short stacking energy: -264.054
Base-Backbone interact. energy: -1.124
local terms energy: -272.860233
where:
bonds (distance) C4'-P energy: -52.817
bonds (distance) P-C4' energy: -52.958
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -73.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -832.537547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.537547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.537547 (E_RNA)
where:
Base-Base interactions energy: -567.425
where: short stacking energy: -235.845
Base-Backbone interact. energy: -0.373
local terms energy: -264.739941
where:
bonds (distance) C4'-P energy: -53.369
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -55.099
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -61.999
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: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -809.143952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.143952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.143952 (E_RNA)
where:
Base-Base interactions energy: -558.193
where: short stacking energy: -242.685
Base-Backbone interact. energy: 0.975
local terms energy: -251.925797
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -54.557
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -65.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -808.891338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.891338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.891338 (E_RNA)
where:
Base-Base interactions energy: -545.801
where: short stacking energy: -241.006
Base-Backbone interact. energy: -0.799
local terms energy: -262.291677
where:
bonds (distance) C4'-P energy: -48.193
bonds (distance) P-C4' energy: -52.716
flat angles C4'-P-C4' energy: -53.873
flat angles P-C4'-P energy: -39.099
tors. eta vs tors. theta energy: -68.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -754.651272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.651272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.651272 (E_RNA)
where:
Base-Base interactions energy: -508.744
where: short stacking energy: -233.835
Base-Backbone interact. energy: 0.738
local terms energy: -246.644874
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -70.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -703.589195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.589195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.589195 (E_RNA)
where:
Base-Base interactions energy: -468.433
where: short stacking energy: -189.802
Base-Backbone interact. energy: -0.177
local terms energy: -234.979453
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -49.098
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -59.471
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -490.184386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.184386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.184386 (E_RNA)
where:
Base-Base interactions energy: -292.601
where: short stacking energy: -151.934
Base-Backbone interact. energy: -1.652
local terms energy: -195.930695
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -29.242
tors. eta vs tors. theta energy: -41.042
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: 156
Temperature: 1.350000
Total energy: -289.099965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.099965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.099965 (E_RNA)
where:
Base-Base interactions energy: -132.051
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.697
local terms energy: -156.351292
where:
bonds (distance) C4'-P energy: -40.714
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -46.765
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -965.839156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.839156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.839156 (E_RNA)
where:
Base-Base interactions energy: -670.914
where: short stacking energy: -294.761
Base-Backbone interact. energy: -1.497
local terms energy: -293.427224
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -56.591
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -88.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -950.965703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.965703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.965703 (E_RNA)
where:
Base-Base interactions energy: -663.076
where: short stacking energy: -276.878
Base-Backbone interact. energy: -0.168
local terms energy: -287.722317
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -61.632
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -84.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -881.172011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.172011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.172011 (E_RNA)
where:
Base-Base interactions energy: -604.131
where: short stacking energy: -260.031
Base-Backbone interact. energy: -0.878
local terms energy: -276.162339
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -44.218
tors. eta vs tors. theta energy: -78.390
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -817.231918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.231918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.231918 (E_RNA)
where:
Base-Base interactions energy: -557.363
where: short stacking energy: -230.423
Base-Backbone interact. energy: -1.058
local terms energy: -258.810294
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -42.503
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: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -816.097037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.097037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.097037 (E_RNA)
where:
Base-Base interactions energy: -570.400
where: short stacking energy: -250.233
Base-Backbone interact. energy: -1.098
local terms energy: -244.599167
where:
bonds (distance) C4'-P energy: -52.005
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -59.848
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -64.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -783.351912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.351912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.351912 (E_RNA)
where:
Base-Base interactions energy: -540.928
where: short stacking energy: -227.340
Base-Backbone interact. energy: -0.344
local terms energy: -242.079919
where:
bonds (distance) C4'-P energy: -44.885
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -57.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -749.212654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.212654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.212654 (E_RNA)
where:
Base-Base interactions energy: -507.787
where: short stacking energy: -211.563
Base-Backbone interact. energy: -0.077
local terms energy: -241.349306
where:
bonds (distance) C4'-P energy: -48.148
bonds (distance) P-C4' energy: -43.673
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -52.773
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: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -738.394951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.394951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.394951 (E_RNA)
where:
Base-Base interactions energy: -514.884
where: short stacking energy: -214.346
Base-Backbone interact. energy: -0.641
local terms energy: -222.869732
where:
bonds (distance) C4'-P energy: -43.005
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -49.134
flat angles P-C4'-P energy: -31.785
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: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -473.111419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.111419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.111419 (E_RNA)
where:
Base-Base interactions energy: -295.930
where: short stacking energy: -139.928
Base-Backbone interact. energy: 4.453
local terms energy: -181.634668
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -47.599
flat angles C4'-P-C4' energy: -43.262
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -284.077032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.077032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.077032 (E_RNA)
where:
Base-Base interactions energy: -135.022
where: short stacking energy: -83.414
Base-Backbone interact. energy: -1.035
local terms energy: -148.019745
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -964.534736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.534736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.534736 (E_RNA)
where:
Base-Base interactions energy: -670.512
where: short stacking energy: -311.314
Base-Backbone interact. energy: -0.669
local terms energy: -293.353579
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -92.446
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -956.042875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.042875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.042875 (E_RNA)
where:
Base-Base interactions energy: -675.852
where: short stacking energy: -292.342
Base-Backbone interact. energy: 0.459
local terms energy: -280.650110
where:
bonds (distance) C4'-P energy: -43.737
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -81.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -858.222394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.222394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.222394 (E_RNA)
where:
Base-Base interactions energy: -579.881
where: short stacking energy: -261.404
Base-Backbone interact. energy: -0.407
local terms energy: -277.933714
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -75.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -826.749222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.749222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.749222 (E_RNA)
where:
Base-Base interactions energy: -552.075
where: short stacking energy: -240.464
Base-Backbone interact. energy: -0.572
local terms energy: -274.101840
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -71.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -826.494689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.494689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.494689 (E_RNA)
where:
Base-Base interactions energy: -586.733
where: short stacking energy: -254.505
Base-Backbone interact. energy: 0.614
local terms energy: -240.375348
where:
bonds (distance) C4'-P energy: -50.566
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -67.872
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: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -817.877644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.877644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.877644 (E_RNA)
where:
Base-Base interactions energy: -580.376
where: short stacking energy: -251.893
Base-Backbone interact. energy: -0.228
local terms energy: -237.272887
where:
bonds (distance) C4'-P energy: -42.902
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -46.490
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -65.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -742.145890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.145890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.145890 (E_RNA)
where:
Base-Base interactions energy: -500.786
where: short stacking energy: -209.020
Base-Backbone interact. energy: 0.055
local terms energy: -241.415079
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -47.505
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -64.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -744.550069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.550069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.550069 (E_RNA)
where:
Base-Base interactions energy: -523.306
where: short stacking energy: -233.912
Base-Backbone interact. energy: -0.590
local terms energy: -220.653547
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -50.938
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -58.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -455.256667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.256667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.256667 (E_RNA)
where:
Base-Base interactions energy: -276.417
where: short stacking energy: -122.084
Base-Backbone interact. energy: 3.254
local terms energy: -182.093971
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -40.701
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -293.407647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.407647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.407647 (E_RNA)
where:
Base-Base interactions energy: -122.642
where: short stacking energy: -71.383
Base-Backbone interact. energy: -1.361
local terms energy: -169.404512
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -37.197
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -2.012
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: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -959.750712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.750712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.750712 (E_RNA)
where:
Base-Base interactions energy: -666.060
where: short stacking energy: -289.091
Base-Backbone interact. energy: 0.537
local terms energy: -294.227574
where:
bonds (distance) C4'-P energy: -49.513
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -60.838
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -90.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -954.060694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.060694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.060694 (E_RNA)
where:
Base-Base interactions energy: -667.159
where: short stacking energy: -299.517
Base-Backbone interact. energy: -1.295
local terms energy: -285.606920
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -46.935
flat angles C4'-P-C4' energy: -58.779
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -84.149
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: 159
Temperature: 1.000000
Total energy: -897.640790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.640790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.640790 (E_RNA)
where:
Base-Base interactions energy: -612.748
where: short stacking energy: -266.141
Base-Backbone interact. energy: 0.594
local terms energy: -285.486670
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -73.214
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: 159
Temperature: 1.050000
Total energy: -822.122369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.122369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.122369 (E_RNA)
where:
Base-Base interactions energy: -555.324
where: short stacking energy: -226.841
Base-Backbone interact. energy: -0.572
local terms energy: -266.225820
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -34.172
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: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -803.544671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.544671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.544671 (E_RNA)
where:
Base-Base interactions energy: -551.139
where: short stacking energy: -239.737
Base-Backbone interact. energy: -0.472
local terms energy: -251.933407
where:
bonds (distance) C4'-P energy: -39.427
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -47.927
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -63.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -798.277852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.277852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.277852 (E_RNA)
where:
Base-Base interactions energy: -544.273
where: short stacking energy: -229.138
Base-Backbone interact. energy: -1.167
local terms energy: -252.838046
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -54.926
flat angles C4'-P-C4' energy: -56.404
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -58.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -751.234509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.234509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.234509 (E_RNA)
where:
Base-Base interactions energy: -508.724
where: short stacking energy: -213.082
Base-Backbone interact. energy: 0.914
local terms energy: -243.424579
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -30.658
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: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -708.524360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.524360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.524360 (E_RNA)
where:
Base-Base interactions energy: -483.504
where: short stacking energy: -192.778
Base-Backbone interact. energy: -1.331
local terms energy: -223.689271
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -54.253
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: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -406.989398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.989398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.989398 (E_RNA)
where:
Base-Base interactions energy: -227.388
where: short stacking energy: -114.244
Base-Backbone interact. energy: -0.870
local terms energy: -178.731815
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -50.539
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -21.447
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: 159
Temperature: 1.350000
Total energy: -307.215397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.215397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.215397 (E_RNA)
where:
Base-Base interactions energy: -168.731
where: short stacking energy: -94.704
Base-Backbone interact. energy: -0.426
local terms energy: -138.058286
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -31.485
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -981.215347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.215347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.215347 (E_RNA)
where:
Base-Base interactions energy: -670.577
where: short stacking energy: -289.906
Base-Backbone interact. energy: -2.424
local terms energy: -308.215051
where:
bonds (distance) C4'-P energy: -56.230
bonds (distance) P-C4' energy: -60.121
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -89.056
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: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -956.715084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.715084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.715084 (E_RNA)
where:
Base-Base interactions energy: -661.263
where: short stacking energy: -288.198
Base-Backbone interact. energy: -1.013
local terms energy: -294.438588
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -87.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -894.181265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.181265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.181265 (E_RNA)
where:
Base-Base interactions energy: -621.149
where: short stacking energy: -278.220
Base-Backbone interact. energy: -0.600
local terms energy: -272.432355
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -58.689
flat angles P-C4'-P energy: -34.863
tors. eta vs tors. theta energy: -76.867
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -815.454052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.454052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.454052 (E_RNA)
where:
Base-Base interactions energy: -563.568
where: short stacking energy: -248.593
Base-Backbone interact. energy: -0.240
local terms energy: -251.646753
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -71.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -830.866285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.866285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.866285 (E_RNA)
where:
Base-Base interactions energy: -588.006
where: short stacking energy: -254.103
Base-Backbone interact. energy: -0.971
local terms energy: -241.890019
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -70.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -794.111152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.111152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.111152 (E_RNA)
where:
Base-Base interactions energy: -544.776
where: short stacking energy: -222.870
Base-Backbone interact. energy: -0.882
local terms energy: -248.453125
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -65.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -758.325175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.325175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.325175 (E_RNA)
where:
Base-Base interactions energy: -537.605
where: short stacking energy: -228.069
Base-Backbone interact. energy: -1.309
local terms energy: -219.411917
where:
bonds (distance) C4'-P energy: -46.927
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -65.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -708.170219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.170219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.170219 (E_RNA)
where:
Base-Base interactions energy: -482.253
where: short stacking energy: -199.048
Base-Backbone interact. energy: 0.010
local terms energy: -225.927580
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -56.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -419.181309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.181309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.181309 (E_RNA)
where:
Base-Base interactions energy: -254.524
where: short stacking energy: -121.657
Base-Backbone interact. energy: 1.316
local terms energy: -165.972917
where:
bonds (distance) C4'-P energy: -40.017
bonds (distance) P-C4' energy: -43.946
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -293.416884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.416884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.416884 (E_RNA)
where:
Base-Base interactions energy: -136.848
where: short stacking energy: -76.601
Base-Backbone interact. energy: -1.338
local terms energy: -155.231009
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: 6.861
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: 161
Temperature: 0.900000
Total energy: -971.680319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.680319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.680319 (E_RNA)
where:
Base-Base interactions energy: -658.303
where: short stacking energy: -295.945
Base-Backbone interact. energy: -1.187
local terms energy: -312.190197
where:
bonds (distance) C4'-P energy: -57.006
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -50.061
tors. eta vs tors. theta energy: -88.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -932.658404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.658404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.658404 (E_RNA)
where:
Base-Base interactions energy: -653.997
where: short stacking energy: -277.840
Base-Backbone interact. energy: -0.742
local terms energy: -277.919669
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -50.340
flat angles P-C4'-P energy: -42.458
tors. eta vs tors. theta energy: -82.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -891.178705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.178705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.178705 (E_RNA)
where:
Base-Base interactions energy: -609.033
where: short stacking energy: -260.167
Base-Backbone interact. energy: -0.919
local terms energy: -281.226455
where:
bonds (distance) C4'-P energy: -55.948
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -78.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -836.990776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.990776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.990776 (E_RNA)
where:
Base-Base interactions energy: -571.397
where: short stacking energy: -249.298
Base-Backbone interact. energy: -0.425
local terms energy: -265.168976
where:
bonds (distance) C4'-P energy: -41.446
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -77.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -791.034969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.034969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.034969 (E_RNA)
where:
Base-Base interactions energy: -538.008
where: short stacking energy: -230.221
Base-Backbone interact. energy: 2.074
local terms energy: -255.100948
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -69.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -803.397943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.397943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.397943 (E_RNA)
where:
Base-Base interactions energy: -550.429
where: short stacking energy: -241.257
Base-Backbone interact. energy: 0.260
local terms energy: -253.228538
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -62.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -725.741742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.741742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.741742 (E_RNA)
where:
Base-Base interactions energy: -493.414
where: short stacking energy: -196.332
Base-Backbone interact. energy: 2.045
local terms energy: -234.371912
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -732.769021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.769021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.769021 (E_RNA)
where:
Base-Base interactions energy: -492.250
where: short stacking energy: -197.884
Base-Backbone interact. energy: 3.824
local terms energy: -244.342483
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -52.332
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -59.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -441.655511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.655511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.655511 (E_RNA)
where:
Base-Base interactions energy: -258.945
where: short stacking energy: -133.379
Base-Backbone interact. energy: -0.918
local terms energy: -181.792237
where:
bonds (distance) C4'-P energy: -52.761
bonds (distance) P-C4' energy: -42.928
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -279.920507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.920507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.920507 (E_RNA)
where:
Base-Base interactions energy: -138.935
where: short stacking energy: -97.032
Base-Backbone interact. energy: 9.209
local terms energy: -150.194053
where:
bonds (distance) C4'-P energy: -46.387
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -34.061
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -973.916124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.916124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.916124 (E_RNA)
where:
Base-Base interactions energy: -665.533
where: short stacking energy: -291.986
Base-Backbone interact. energy: -0.995
local terms energy: -307.387674
where:
bonds (distance) C4'-P energy: -57.362
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -65.521
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -91.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -939.685949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.685949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.685949 (E_RNA)
where:
Base-Base interactions energy: -652.786
where: short stacking energy: -286.669
Base-Backbone interact. energy: -0.362
local terms energy: -286.538002
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -47.519
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -87.960
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -913.144621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.144621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.144621 (E_RNA)
where:
Base-Base interactions energy: -623.001
where: short stacking energy: -281.839
Base-Backbone interact. energy: 1.001
local terms energy: -291.144724
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -56.344
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -78.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -850.115806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.115806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.115806 (E_RNA)
where:
Base-Base interactions energy: -586.261
where: short stacking energy: -242.590
Base-Backbone interact. energy: -0.424
local terms energy: -263.430502
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -53.402
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -67.924
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: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -797.926412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.926412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.926412 (E_RNA)
where:
Base-Base interactions energy: -546.716
where: short stacking energy: -230.250
Base-Backbone interact. energy: -2.318
local terms energy: -248.892136
where:
bonds (distance) C4'-P energy: -46.214
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -59.847
flat angles P-C4'-P energy: -41.295
tors. eta vs tors. theta energy: -58.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -776.027842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.027842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.027842 (E_RNA)
where:
Base-Base interactions energy: -505.934
where: short stacking energy: -224.101
Base-Backbone interact. energy: -0.515
local terms energy: -269.578868
where:
bonds (distance) C4'-P energy: -57.276
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: -67.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -740.009256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.009256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.009256 (E_RNA)
where:
Base-Base interactions energy: -521.398
where: short stacking energy: -221.145
Base-Backbone interact. energy: -1.008
local terms energy: -217.603724
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -42.131
flat angles C4'-P-C4' energy: -52.741
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -51.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -738.909959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.909959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.909959 (E_RNA)
where:
Base-Base interactions energy: -518.871
where: short stacking energy: -206.483
Base-Backbone interact. energy: -0.467
local terms energy: -219.571874
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: -61.405
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: 162
Temperature: 1.300000
Total energy: -443.296483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.296483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.296483 (E_RNA)
where:
Base-Base interactions energy: -255.048
where: short stacking energy: -140.680
Base-Backbone interact. energy: 0.085
local terms energy: -188.333636
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -46.175
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -39.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -287.933689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.933689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.933689 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -68.637
Base-Backbone interact. energy: 1.244
local terms energy: -153.954428
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -965.960346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.960346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.960346 (E_RNA)
where:
Base-Base interactions energy: -677.008
where: short stacking energy: -292.047
Base-Backbone interact. energy: -1.360
local terms energy: -287.592872
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -52.391
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -83.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -977.647388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.647388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.647388 (E_RNA)
where:
Base-Base interactions energy: -686.346
where: short stacking energy: -296.916
Base-Backbone interact. energy: -0.949
local terms energy: -290.351948
where:
bonds (distance) C4'-P energy: -52.579
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -90.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -896.365945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.365945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.365945 (E_RNA)
where:
Base-Base interactions energy: -620.152
where: short stacking energy: -286.595
Base-Backbone interact. energy: -0.872
local terms energy: -275.342352
where:
bonds (distance) C4'-P energy: -38.977
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -60.338
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -83.550
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: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -832.718538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.718538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.718538 (E_RNA)
where:
Base-Base interactions energy: -564.680
where: short stacking energy: -238.380
Base-Backbone interact. energy: 0.004
local terms energy: -268.042790
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -49.439
flat angles C4'-P-C4' energy: -56.867
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -71.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -804.471443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.471443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.471443 (E_RNA)
where:
Base-Base interactions energy: -554.644
where: short stacking energy: -247.150
Base-Backbone interact. energy: -0.879
local terms energy: -248.949012
where:
bonds (distance) C4'-P energy: -49.294
bonds (distance) P-C4' energy: -39.378
flat angles C4'-P-C4' energy: -60.204
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -66.867
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: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -765.470760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.470760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.470760 (E_RNA)
where:
Base-Base interactions energy: -528.336
where: short stacking energy: -215.641
Base-Backbone interact. energy: 0.164
local terms energy: -237.299232
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -59.330
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -66.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -749.070690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.070690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.070690 (E_RNA)
where:
Base-Base interactions energy: -523.446
where: short stacking energy: -220.052
Base-Backbone interact. energy: -0.794
local terms energy: -224.830795
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -41.437
flat angles C4'-P-C4' energy: -44.677
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -60.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -748.702608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.702608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.702608 (E_RNA)
where:
Base-Base interactions energy: -510.843
where: short stacking energy: -203.909
Base-Backbone interact. energy: -0.448
local terms energy: -237.410918
where:
bonds (distance) C4'-P energy: -37.262
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -54.050
flat angles P-C4'-P energy: -37.406
tors. eta vs tors. theta energy: -59.988
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: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -429.490866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.490866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.490866 (E_RNA)
where:
Base-Base interactions energy: -248.019
where: short stacking energy: -123.178
Base-Backbone interact. energy: 1.663
local terms energy: -183.134260
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -44.237
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -274.549887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.549887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.549887 (E_RNA)
where:
Base-Base interactions energy: -126.730
where: short stacking energy: -78.088
Base-Backbone interact. energy: 1.206
local terms energy: -149.025898
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: 3.384
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: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -960.051777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.051777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.051777 (E_RNA)
where:
Base-Base interactions energy: -666.732
where: short stacking energy: -283.833
Base-Backbone interact. energy: -0.238
local terms energy: -293.082238
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -58.909
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -84.028
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: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -951.737017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.737017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.737017 (E_RNA)
where:
Base-Base interactions energy: -655.531
where: short stacking energy: -296.924
Base-Backbone interact. energy: -0.716
local terms energy: -295.489785
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -55.837
flat angles P-C4'-P energy: -46.051
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: 164
Temperature: 1.000000
Total energy: -838.207569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.207569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.207569 (E_RNA)
where:
Base-Base interactions energy: -578.793
where: short stacking energy: -256.974
Base-Backbone interact. energy: -1.186
local terms energy: -258.228831
where:
bonds (distance) C4'-P energy: -46.869
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -62.582
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: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -888.133230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.133230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.133230 (E_RNA)
where:
Base-Base interactions energy: -614.112
where: short stacking energy: -274.084
Base-Backbone interact. energy: -0.569
local terms energy: -273.452055
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -48.513
flat angles C4'-P-C4' energy: -60.015
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -825.591183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.591183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.591183 (E_RNA)
where:
Base-Base interactions energy: -564.395
where: short stacking energy: -233.436
Base-Backbone interact. energy: -1.715
local terms energy: -259.480933
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -32.491
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: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -763.153166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.153166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.153166 (E_RNA)
where:
Base-Base interactions energy: -524.932
where: short stacking energy: -225.645
Base-Backbone interact. energy: 2.556
local terms energy: -240.776538
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -62.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -786.678792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.678792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.678792 (E_RNA)
where:
Base-Base interactions energy: -535.591
where: short stacking energy: -240.589
Base-Backbone interact. energy: 0.797
local terms energy: -251.884863
where:
bonds (distance) C4'-P energy: -37.244
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -42.424
tors. eta vs tors. theta energy: -72.892
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: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -731.529082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.529082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.529082 (E_RNA)
where:
Base-Base interactions energy: -493.232
where: short stacking energy: -212.639
Base-Backbone interact. energy: -1.706
local terms energy: -236.591119
where:
bonds (distance) C4'-P energy: -48.165
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -47.146
flat angles P-C4'-P energy: -40.446
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: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -432.253499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.253499 (E_RNA)
where:
Base-Base interactions energy: -238.255
where: short stacking energy: -107.932
Base-Backbone interact. energy: -0.573
local terms energy: -193.425251
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -49.179
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -287.017462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.017462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.017462 (E_RNA)
where:
Base-Base interactions energy: -129.465
where: short stacking energy: -86.531
Base-Backbone interact. energy: -0.914
local terms energy: -156.638404
where:
bonds (distance) C4'-P energy: -34.862
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -5.278
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -985.629877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.629877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.629877 (E_RNA)
where:
Base-Base interactions energy: -681.222
where: short stacking energy: -302.224
Base-Backbone interact. energy: 0.171
local terms energy: -304.578936
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -55.406
flat angles C4'-P-C4' energy: -64.652
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -88.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -963.364058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.364058 (E_RNA)
where:
Base-Base interactions energy: -662.740
where: short stacking energy: -289.610
Base-Backbone interact. energy: -0.856
local terms energy: -299.768515
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -41.452
tors. eta vs tors. theta energy: -89.902
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: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -849.359241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.359241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.359241 (E_RNA)
where:
Base-Base interactions energy: -573.052
where: short stacking energy: -252.773
Base-Backbone interact. energy: 1.928
local terms energy: -278.235161
where:
bonds (distance) C4'-P energy: -53.182
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -55.159
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -69.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -871.044440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.044440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.044440 (E_RNA)
where:
Base-Base interactions energy: -615.136
where: short stacking energy: -258.092
Base-Backbone interact. energy: -1.031
local terms energy: -254.876629
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -70.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -804.869661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.869661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.869661 (E_RNA)
where:
Base-Base interactions energy: -543.735
where: short stacking energy: -248.872
Base-Backbone interact. energy: 1.493
local terms energy: -262.626837
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -43.007
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -74.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -787.240186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.240186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.240186 (E_RNA)
where:
Base-Base interactions energy: -554.707
where: short stacking energy: -249.086
Base-Backbone interact. energy: 0.939
local terms energy: -233.472115
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -42.215
flat angles P-C4'-P energy: -28.323
tors. eta vs tors. theta energy: -74.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -768.706560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.706560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.706560 (E_RNA)
where:
Base-Base interactions energy: -527.327
where: short stacking energy: -230.708
Base-Backbone interact. energy: -0.455
local terms energy: -240.923901
where:
bonds (distance) C4'-P energy: -42.301
bonds (distance) P-C4' energy: -45.975
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -61.528
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: 165
Temperature: 1.250000
Total energy: -703.137111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.137111 (E_RNA)
where:
Base-Base interactions energy: -470.130
where: short stacking energy: -194.887
Base-Backbone interact. energy: 1.744
local terms energy: -234.751510
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -57.676
flat angles C4'-P-C4' energy: -51.799
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -56.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -430.458773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.458773 (E_RNA)
where:
Base-Base interactions energy: -266.328
where: short stacking energy: -117.074
Base-Backbone interact. energy: 1.776
local terms energy: -165.906553
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -17.282
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: 165
Temperature: 1.350000
Total energy: -318.090403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.090403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.090403 (E_RNA)
where:
Base-Base interactions energy: -159.783
where: short stacking energy: -99.382
Base-Backbone interact. energy: -1.585
local terms energy: -156.722081
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -46.763
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -25.079
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: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -981.403232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.403232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.403232 (E_RNA)
where:
Base-Base interactions energy: -682.424
where: short stacking energy: -294.707
Base-Backbone interact. energy: -1.615
local terms energy: -297.363646
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -92.068
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: 166
Temperature: 0.950000
Total energy: -961.904331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.904331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.904331 (E_RNA)
where:
Base-Base interactions energy: -666.091
where: short stacking energy: -288.999
Base-Backbone interact. energy: -1.570
local terms energy: -294.243345
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -46.838
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -92.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -863.887438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.887438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.887438 (E_RNA)
where:
Base-Base interactions energy: -595.838
where: short stacking energy: -258.663
Base-Backbone interact. energy: 0.292
local terms energy: -268.341617
where:
bonds (distance) C4'-P energy: -51.421
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -55.978
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -69.291
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -823.262711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.262711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.262711 (E_RNA)
where:
Base-Base interactions energy: -570.450
where: short stacking energy: -253.006
Base-Backbone interact. energy: -0.570
local terms energy: -252.242891
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: -70.950
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: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -802.269175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.269175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.269175 (E_RNA)
where:
Base-Base interactions energy: -554.800
where: short stacking energy: -232.450
Base-Backbone interact. energy: -1.547
local terms energy: -245.922672
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -47.070
flat angles C4'-P-C4' energy: -57.616
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -63.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -775.335169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.335169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.335169 (E_RNA)
where:
Base-Base interactions energy: -527.928
where: short stacking energy: -236.658
Base-Backbone interact. energy: -0.990
local terms energy: -246.416890
where:
bonds (distance) C4'-P energy: -44.925
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -42.823
flat angles P-C4'-P energy: -38.845
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: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -769.989019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.989019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.989019 (E_RNA)
where:
Base-Base interactions energy: -538.394
where: short stacking energy: -230.944
Base-Backbone interact. energy: 1.089
local terms energy: -232.683600
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -58.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -741.540385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.540385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.540385 (E_RNA)
where:
Base-Base interactions energy: -513.825
where: short stacking energy: -225.295
Base-Backbone interact. energy: -2.448
local terms energy: -225.267945
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -50.580
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -58.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -418.748126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.748126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.748126 (E_RNA)
where:
Base-Base interactions energy: -245.071
where: short stacking energy: -118.451
Base-Backbone interact. energy: -0.148
local terms energy: -173.528817
where:
bonds (distance) C4'-P energy: -47.859
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -284.258558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.258558 (E_RNA)
where:
Base-Base interactions energy: -132.998
where: short stacking energy: -96.892
Base-Backbone interact. energy: 1.017
local terms energy: -152.277327
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -986.301158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.301158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.301158 (E_RNA)
where:
Base-Base interactions energy: -694.535
where: short stacking energy: -298.390
Base-Backbone interact. energy: -1.714
local terms energy: -290.051877
where:
bonds (distance) C4'-P energy: -50.761
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -89.470
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: 167
Temperature: 0.950000
Total energy: -962.282799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.282799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.282799 (E_RNA)
where:
Base-Base interactions energy: -682.669
where: short stacking energy: -290.718
Base-Backbone interact. energy: -0.326
local terms energy: -279.287537
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -83.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -858.841174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.841174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.841174 (E_RNA)
where:
Base-Base interactions energy: -587.296
where: short stacking energy: -254.846
Base-Backbone interact. energy: 0.164
local terms energy: -271.709361
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -58.558
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -76.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -841.136997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.136997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.136997 (E_RNA)
where:
Base-Base interactions energy: -578.151
where: short stacking energy: -257.080
Base-Backbone interact. energy: 3.276
local terms energy: -266.262281
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -74.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -830.285821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.285821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.285821 (E_RNA)
where:
Base-Base interactions energy: -579.518
where: short stacking energy: -248.698
Base-Backbone interact. energy: -0.294
local terms energy: -250.474706
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -46.461
flat angles C4'-P-C4' energy: -57.963
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -67.801
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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -758.567824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.567824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.567824 (E_RNA)
where:
Base-Base interactions energy: -515.535
where: short stacking energy: -213.263
Base-Backbone interact. energy: -0.813
local terms energy: -242.219938
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -50.363
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -60.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -768.019539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.019539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.019539 (E_RNA)
where:
Base-Base interactions energy: -527.207
where: short stacking energy: -229.118
Base-Backbone interact. energy: -0.938
local terms energy: -239.874350
where:
bonds (distance) C4'-P energy: -41.297
bonds (distance) P-C4' energy: -44.251
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -42.849
tors. eta vs tors. theta energy: -67.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -752.399580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.399580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.399580 (E_RNA)
where:
Base-Base interactions energy: -518.524
where: short stacking energy: -227.117
Base-Backbone interact. energy: -2.952
local terms energy: -230.923672
where:
bonds (distance) C4'-P energy: -40.000
bonds (distance) P-C4' energy: -44.947
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -62.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -439.960639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.960639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.960639 (E_RNA)
where:
Base-Base interactions energy: -274.017
where: short stacking energy: -124.252
Base-Backbone interact. energy: 0.742
local terms energy: -166.685577
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -257.939336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.939336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.939336 (E_RNA)
where:
Base-Base interactions energy: -111.058
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.647
local terms energy: -146.234061
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -975.186425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.186425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.186425 (E_RNA)
where:
Base-Base interactions energy: -677.221
where: short stacking energy: -270.790
Base-Backbone interact. energy: -1.010
local terms energy: -296.955558
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -44.773
tors. eta vs tors. theta energy: -83.391
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: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -965.711705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.711705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.711705 (E_RNA)
where:
Base-Base interactions energy: -681.338
where: short stacking energy: -290.100
Base-Backbone interact. energy: -1.597
local terms energy: -282.775858
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -41.225
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -84.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -856.519272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.519272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.519272 (E_RNA)
where:
Base-Base interactions energy: -583.919
where: short stacking energy: -256.577
Base-Backbone interact. energy: -0.802
local terms energy: -271.797907
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -76.128
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: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -860.754937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.754937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.754937 (E_RNA)
where:
Base-Base interactions energy: -591.593
where: short stacking energy: -267.680
Base-Backbone interact. energy: -0.177
local terms energy: -268.984541
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -59.610
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -79.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -825.855564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.855564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.855564 (E_RNA)
where:
Base-Base interactions energy: -564.987
where: short stacking energy: -235.186
Base-Backbone interact. energy: -1.140
local terms energy: -259.728072
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -60.623
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: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -759.318476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.318476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.318476 (E_RNA)
where:
Base-Base interactions energy: -510.138
where: short stacking energy: -217.933
Base-Backbone interact. energy: -0.237
local terms energy: -248.943835
where:
bonds (distance) C4'-P energy: -48.841
bonds (distance) P-C4' energy: -45.787
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -61.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -795.122132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.122132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.122132 (E_RNA)
where:
Base-Base interactions energy: -549.790
where: short stacking energy: -229.241
Base-Backbone interact. energy: -1.242
local terms energy: -244.089951
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -51.451
flat angles C4'-P-C4' energy: -54.080
flat angles P-C4'-P energy: -32.290
tors. eta vs tors. theta energy: -65.994
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: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -743.991304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.991304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.991304 (E_RNA)
where:
Base-Base interactions energy: -517.521
where: short stacking energy: -231.767
Base-Backbone interact. energy: 1.785
local terms energy: -228.254527
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -57.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -457.817395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.817395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.817395 (E_RNA)
where:
Base-Base interactions energy: -275.156
where: short stacking energy: -120.600
Base-Backbone interact. energy: 0.444
local terms energy: -183.105985
where:
bonds (distance) C4'-P energy: -42.966
bonds (distance) P-C4' energy: -40.430
flat angles C4'-P-C4' energy: -43.577
flat angles P-C4'-P energy: -31.556
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -222.769202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.769202 (E_RNA)
where:
Base-Base interactions energy: -75.859
where: short stacking energy: -64.750
Base-Backbone interact. energy: 0.354
local terms energy: -147.264117
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: 5.542
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -966.843672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.843672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.843672 (E_RNA)
where:
Base-Base interactions energy: -685.902
where: short stacking energy: -293.253
Base-Backbone interact. energy: 1.435
local terms energy: -282.375926
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -959.095491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.095491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.095491 (E_RNA)
where:
Base-Base interactions energy: -666.864
where: short stacking energy: -283.788
Base-Backbone interact. energy: -0.242
local terms energy: -291.989550
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -50.393
flat angles C4'-P-C4' energy: -63.894
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -83.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -874.795758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.795758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.795758 (E_RNA)
where:
Base-Base interactions energy: -603.612
where: short stacking energy: -259.595
Base-Backbone interact. energy: -1.268
local terms energy: -269.916257
where:
bonds (distance) C4'-P energy: -42.826
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -74.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -835.263819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.263819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.263819 (E_RNA)
where:
Base-Base interactions energy: -578.815
where: short stacking energy: -259.542
Base-Backbone interact. energy: -2.427
local terms energy: -254.021853
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -76.403
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: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -834.896789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.896789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.896789 (E_RNA)
where:
Base-Base interactions energy: -569.367
where: short stacking energy: -238.997
Base-Backbone interact. energy: -2.350
local terms energy: -263.180237
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -56.648
flat angles P-C4'-P energy: -36.951
tors. eta vs tors. theta energy: -64.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -793.061766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.061766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.061766 (E_RNA)
where:
Base-Base interactions energy: -563.319
where: short stacking energy: -256.137
Base-Backbone interact. energy: -1.195
local terms energy: -228.547138
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -52.735
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -68.534
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -721.073915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.073915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.073915 (E_RNA)
where:
Base-Base interactions energy: -483.100
where: short stacking energy: -212.997
Base-Backbone interact. energy: -0.772
local terms energy: -237.201396
where:
bonds (distance) C4'-P energy: -44.265
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -61.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -711.018468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.018468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.018468 (E_RNA)
where:
Base-Base interactions energy: -485.110
where: short stacking energy: -204.136
Base-Backbone interact. energy: -1.384
local terms energy: -224.524610
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -54.570
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -58.666
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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -502.939107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.939107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.939107 (E_RNA)
where:
Base-Base interactions energy: -311.593
where: short stacking energy: -138.030
Base-Backbone interact. energy: -1.354
local terms energy: -189.991963
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -48.546
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -23.698
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: 169
Temperature: 1.350000
Total energy: -217.077328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.077328 (E_RNA)
where:
Base-Base interactions energy: -80.336
where: short stacking energy: -74.335
Base-Backbone interact. energy: 2.910
local terms energy: -139.651387
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -42.693
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -976.380183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.380183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.380183 (E_RNA)
where:
Base-Base interactions energy: -676.101
where: short stacking energy: -287.632
Base-Backbone interact. energy: 0.096
local terms energy: -300.375622
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -61.302
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -89.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -960.540991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.540991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.540991 (E_RNA)
where:
Base-Base interactions energy: -678.423
where: short stacking energy: -297.192
Base-Backbone interact. energy: -1.427
local terms energy: -280.690894
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -44.902
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -88.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -872.271945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.271945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.271945 (E_RNA)
where:
Base-Base interactions energy: -595.705
where: short stacking energy: -270.315
Base-Backbone interact. energy: -0.719
local terms energy: -275.847816
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -55.626
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -43.901
tors. eta vs tors. theta energy: -71.025
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -830.432591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.432591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.432591 (E_RNA)
where:
Base-Base interactions energy: -563.790
where: short stacking energy: -257.101
Base-Backbone interact. energy: -0.681
local terms energy: -265.961556
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -77.872
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: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -831.076712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.076712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.076712 (E_RNA)
where:
Base-Base interactions energy: -571.528
where: short stacking energy: -251.180
Base-Backbone interact. energy: -0.585
local terms energy: -258.964004
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -44.098
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -71.197
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -795.164065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.164065 (E_RNA)
where:
Base-Base interactions energy: -558.964
where: short stacking energy: -215.628
Base-Backbone interact. energy: 4.138
local terms energy: -240.337731
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -51.601
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -62.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -744.280267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.280267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.280267 (E_RNA)
where:
Base-Base interactions energy: -512.830
where: short stacking energy: -198.860
Base-Backbone interact. energy: -1.130
local terms energy: -230.320460
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -42.788
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -53.940
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -706.607164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.607164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.607164 (E_RNA)
where:
Base-Base interactions energy: -472.351
where: short stacking energy: -199.420
Base-Backbone interact. energy: 0.409
local terms energy: -234.665303
where:
bonds (distance) C4'-P energy: -41.425
bonds (distance) P-C4' energy: -54.237
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -52.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -500.238113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.238113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.238113 (E_RNA)
where:
Base-Base interactions energy: -309.392
where: short stacking energy: -134.840
Base-Backbone interact. energy: -1.083
local terms energy: -189.762961
where:
bonds (distance) C4'-P energy: -46.394
bonds (distance) P-C4' energy: -44.955
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -230.342549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342549 (E_RNA)
where:
Base-Base interactions energy: -71.742
where: short stacking energy: -60.036
Base-Backbone interact. energy: 0.016
local terms energy: -158.615878
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -973.203272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.203272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.203272 (E_RNA)
where:
Base-Base interactions energy: -666.537
where: short stacking energy: -287.917
Base-Backbone interact. energy: -0.906
local terms energy: -305.760268
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -87.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -940.922483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.922483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.922483 (E_RNA)
where:
Base-Base interactions energy: -658.764
where: short stacking energy: -282.574
Base-Backbone interact. energy: -1.483
local terms energy: -280.675321
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -62.707
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -81.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -853.859000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.859000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.859000 (E_RNA)
where:
Base-Base interactions energy: -580.287
where: short stacking energy: -256.247
Base-Backbone interact. energy: 0.710
local terms energy: -274.282757
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -61.116
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -73.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -835.856737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.856737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.856737 (E_RNA)
where:
Base-Base interactions energy: -557.743
where: short stacking energy: -227.281
Base-Backbone interact. energy: -1.401
local terms energy: -276.712669
where:
bonds (distance) C4'-P energy: -55.716
bonds (distance) P-C4' energy: -50.755
flat angles C4'-P-C4' energy: -55.808
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -69.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -808.041699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.041699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.041699 (E_RNA)
where:
Base-Base interactions energy: -557.321
where: short stacking energy: -257.820
Base-Backbone interact. energy: -0.506
local terms energy: -250.214343
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -43.253
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -68.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -801.094019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.094019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.094019 (E_RNA)
where:
Base-Base interactions energy: -562.159
where: short stacking energy: -233.461
Base-Backbone interact. energy: -0.408
local terms energy: -238.527123
where:
bonds (distance) C4'-P energy: -46.161
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -66.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -732.020437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.020437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.020437 (E_RNA)
where:
Base-Base interactions energy: -498.489
where: short stacking energy: -205.693
Base-Backbone interact. energy: 0.230
local terms energy: -233.760945
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -54.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -716.351318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.351318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.351318 (E_RNA)
where:
Base-Base interactions energy: -508.121
where: short stacking energy: -213.594
Base-Backbone interact. energy: -0.440
local terms energy: -207.791150
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -32.511
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: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -501.687347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.687347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.687347 (E_RNA)
where:
Base-Base interactions energy: -325.022
where: short stacking energy: -139.112
Base-Backbone interact. energy: -0.918
local terms energy: -175.747779
where:
bonds (distance) C4'-P energy: -40.896
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -226.558317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558317 (E_RNA)
where:
Base-Base interactions energy: -88.442
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.921
local terms energy: -137.194855
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -44.323
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: 7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -965.319288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.319288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.319288 (E_RNA)
where:
Base-Base interactions energy: -672.355
where: short stacking energy: -296.714
Base-Backbone interact. energy: 0.346
local terms energy: -293.310484
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -38.197
tors. eta vs tors. theta energy: -88.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -937.290996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.290996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.290996 (E_RNA)
where:
Base-Base interactions energy: -650.046
where: short stacking energy: -281.567
Base-Backbone interact. energy: -1.845
local terms energy: -285.400575
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -57.062
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -83.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -871.786822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.786822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.786822 (E_RNA)
where:
Base-Base interactions energy: -590.559
where: short stacking energy: -255.337
Base-Backbone interact. energy: -0.686
local terms energy: -280.541803
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -74.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -851.694455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.694455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.694455 (E_RNA)
where:
Base-Base interactions energy: -577.257
where: short stacking energy: -248.377
Base-Backbone interact. energy: 0.119
local terms energy: -274.556812
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -54.544
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -74.719
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: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -809.722809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.722809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.722809 (E_RNA)
where:
Base-Base interactions energy: -559.265
where: short stacking energy: -238.617
Base-Backbone interact. energy: 0.392
local terms energy: -250.849898
where:
bonds (distance) C4'-P energy: -42.966
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -41.945
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: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -785.517757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.517757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.517757 (E_RNA)
where:
Base-Base interactions energy: -529.978
where: short stacking energy: -214.407
Base-Backbone interact. energy: -1.981
local terms energy: -253.558354
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -63.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -749.668170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.668170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.668170 (E_RNA)
where:
Base-Base interactions energy: -509.563
where: short stacking energy: -207.987
Base-Backbone interact. energy: -0.802
local terms energy: -239.303315
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -45.382
flat angles C4'-P-C4' energy: -56.002
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -692.654992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.654992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.654992 (E_RNA)
where:
Base-Base interactions energy: -466.702
where: short stacking energy: -207.149
Base-Backbone interact. energy: 1.297
local terms energy: -227.249957
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -59.059
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: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -503.999857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.999857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.999857 (E_RNA)
where:
Base-Base interactions energy: -310.429
where: short stacking energy: -143.482
Base-Backbone interact. energy: 0.255
local terms energy: -193.826190
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -46.076
flat angles P-C4'-P energy: -28.398
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: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -246.392263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.392263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392263 (E_RNA)
where:
Base-Base interactions energy: -108.819
where: short stacking energy: -59.687
Base-Backbone interact. energy: 2.154
local terms energy: -139.727432
where:
bonds (distance) C4'-P energy: -40.064
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: 4.908
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: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -968.014142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.014142 (E_RNA)
where:
Base-Base interactions energy: -668.482
where: short stacking energy: -292.104
Base-Backbone interact. energy: -1.168
local terms energy: -298.363611
where:
bonds (distance) C4'-P energy: -50.749
bonds (distance) P-C4' energy: -54.589
flat angles C4'-P-C4' energy: -63.092
flat angles P-C4'-P energy: -46.268
tors. eta vs tors. theta energy: -83.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -937.754031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.754031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.754031 (E_RNA)
where:
Base-Base interactions energy: -652.057
where: short stacking energy: -282.499
Base-Backbone interact. energy: -0.393
local terms energy: -285.303848
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -56.653
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -86.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -854.457912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.457912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.457912 (E_RNA)
where:
Base-Base interactions energy: -586.000
where: short stacking energy: -268.299
Base-Backbone interact. energy: -0.269
local terms energy: -268.189476
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -34.557
tors. eta vs tors. theta energy: -80.971
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: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -843.972904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.972904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.972904 (E_RNA)
where:
Base-Base interactions energy: -582.649
where: short stacking energy: -243.485
Base-Backbone interact. energy: -0.492
local terms energy: -260.832175
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: -68.370
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: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -807.627597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.627597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.627597 (E_RNA)
where:
Base-Base interactions energy: -561.384
where: short stacking energy: -238.773
Base-Backbone interact. energy: -0.794
local terms energy: -245.449372
where:
bonds (distance) C4'-P energy: -45.084
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -68.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -820.866239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.866239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.866239 (E_RNA)
where:
Base-Base interactions energy: -558.071
where: short stacking energy: -244.481
Base-Backbone interact. energy: -0.927
local terms energy: -261.868694
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -75.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -745.463595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.463595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.463595 (E_RNA)
where:
Base-Base interactions energy: -514.200
where: short stacking energy: -224.446
Base-Backbone interact. energy: -0.447
local terms energy: -230.816256
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -59.068
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: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -722.182183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.182183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.182183 (E_RNA)
where:
Base-Base interactions energy: -490.593
where: short stacking energy: -202.692
Base-Backbone interact. energy: -0.397
local terms energy: -231.192417
where:
bonds (distance) C4'-P energy: -46.301
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -59.670
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -55.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -464.903562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.903562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.903562 (E_RNA)
where:
Base-Base interactions energy: -276.510
where: short stacking energy: -120.508
Base-Backbone interact. energy: 0.088
local terms energy: -188.482468
where:
bonds (distance) C4'-P energy: -44.812
bonds (distance) P-C4' energy: -48.462
flat angles C4'-P-C4' energy: -43.477
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -235.413692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.413692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.413692 (E_RNA)
where:
Base-Base interactions energy: -76.537
where: short stacking energy: -71.277
Base-Backbone interact. energy: 2.914
local terms energy: -161.790722
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -28.156
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: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -981.366011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.366011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.366011 (E_RNA)
where:
Base-Base interactions energy: -689.489
where: short stacking energy: -308.449
Base-Backbone interact. energy: 1.816
local terms energy: -293.693828
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -89.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -970.063926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.063926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.063926 (E_RNA)
where:
Base-Base interactions energy: -678.139
where: short stacking energy: -301.222
Base-Backbone interact. energy: 0.547
local terms energy: -292.471693
where:
bonds (distance) C4'-P energy: -53.724
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -42.428
tors. eta vs tors. theta energy: -87.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -870.659841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.659841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.659841 (E_RNA)
where:
Base-Base interactions energy: -601.086
where: short stacking energy: -253.563
Base-Backbone interact. energy: 0.203
local terms energy: -269.776834
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -77.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -858.790835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.790835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.790835 (E_RNA)
where:
Base-Base interactions energy: -587.772
where: short stacking energy: -260.047
Base-Backbone interact. energy: 2.387
local terms energy: -273.405584
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -78.249
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: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -833.827443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.827443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.827443 (E_RNA)
where:
Base-Base interactions energy: -567.136
where: short stacking energy: -247.039
Base-Backbone interact. energy: -1.129
local terms energy: -265.562364
where:
bonds (distance) C4'-P energy: -48.804
bonds (distance) P-C4' energy: -55.208
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -31.901
tors. eta vs tors. theta energy: -75.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -803.344689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.344689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.344689 (E_RNA)
where:
Base-Base interactions energy: -567.017
where: short stacking energy: -245.500
Base-Backbone interact. energy: 0.100
local terms energy: -236.426900
where:
bonds (distance) C4'-P energy: -35.860
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -68.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -759.654663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.654663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.654663 (E_RNA)
where:
Base-Base interactions energy: -529.885
where: short stacking energy: -234.928
Base-Backbone interact. energy: -0.633
local terms energy: -229.136513
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -52.032
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -60.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -722.992330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.992330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.992330 (E_RNA)
where:
Base-Base interactions energy: -488.497
where: short stacking energy: -210.477
Base-Backbone interact. energy: -1.226
local terms energy: -233.269166
where:
bonds (distance) C4'-P energy: -44.281
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -48.876
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -61.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -459.589114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.589114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.589114 (E_RNA)
where:
Base-Base interactions energy: -290.987
where: short stacking energy: -124.419
Base-Backbone interact. energy: 0.824
local terms energy: -169.426226
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -225.783192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783192 (E_RNA)
where:
Base-Base interactions energy: -69.586
where: short stacking energy: -67.099
Base-Backbone interact. energy: -2.044
local terms energy: -154.153423
where:
bonds (distance) C4'-P energy: -43.954
bonds (distance) P-C4' energy: -47.439
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -973.585170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.585170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.585170 (E_RNA)
where:
Base-Base interactions energy: -665.064
where: short stacking energy: -283.243
Base-Backbone interact. energy: -1.352
local terms energy: -307.169353
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -90.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -956.034822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.034822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.034822 (E_RNA)
where:
Base-Base interactions energy: -673.680
where: short stacking energy: -293.534
Base-Backbone interact. energy: -0.814
local terms energy: -281.540359
where:
bonds (distance) C4'-P energy: -49.523
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -82.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -875.904745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.904745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.904745 (E_RNA)
where:
Base-Base interactions energy: -595.849
where: short stacking energy: -274.297
Base-Backbone interact. energy: -0.133
local terms energy: -279.922318
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -74.953
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: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -850.679333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.679333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.679333 (E_RNA)
where:
Base-Base interactions energy: -590.100
where: short stacking energy: -256.084
Base-Backbone interact. energy: -0.074
local terms energy: -260.505097
where:
bonds (distance) C4'-P energy: -54.458
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -72.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -829.915575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.915575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.915575 (E_RNA)
where:
Base-Base interactions energy: -583.813
where: short stacking energy: -245.479
Base-Backbone interact. energy: -1.259
local terms energy: -244.843757
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -56.240
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -70.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -808.371970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.371970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.371970 (E_RNA)
where:
Base-Base interactions energy: -553.608
where: short stacking energy: -242.729
Base-Backbone interact. energy: -0.337
local terms energy: -254.427294
where:
bonds (distance) C4'-P energy: -47.511
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -48.548
flat angles P-C4'-P energy: -39.051
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: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -780.422708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.422708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.422708 (E_RNA)
where:
Base-Base interactions energy: -524.676
where: short stacking energy: -229.030
Base-Backbone interact. energy: 0.070
local terms energy: -255.816828
where:
bonds (distance) C4'-P energy: -49.460
bonds (distance) P-C4' energy: -50.133
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -66.943
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -740.088036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.088036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.088036 (E_RNA)
where:
Base-Base interactions energy: -513.126
where: short stacking energy: -226.120
Base-Backbone interact. energy: -0.972
local terms energy: -225.989985
where:
bonds (distance) C4'-P energy: -46.257
bonds (distance) P-C4' energy: -41.970
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -62.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -447.578376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.578376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.578376 (E_RNA)
where:
Base-Base interactions energy: -258.253
where: short stacking energy: -115.955
Base-Backbone interact. energy: 0.085
local terms energy: -189.410271
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -41.738
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -224.275132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.275132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.275132 (E_RNA)
where:
Base-Base interactions energy: -86.995
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.523
local terms energy: -136.757473
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -41.078
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: 10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -974.767596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.767596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.767596 (E_RNA)
where:
Base-Base interactions energy: -668.732
where: short stacking energy: -294.834
Base-Backbone interact. energy: -0.259
local terms energy: -305.776376
where:
bonds (distance) C4'-P energy: -51.042
bonds (distance) P-C4' energy: -56.752
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -90.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -957.709413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.709413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.709413 (E_RNA)
where:
Base-Base interactions energy: -673.599
where: short stacking energy: -282.989
Base-Backbone interact. energy: 0.911
local terms energy: -285.021091
where:
bonds (distance) C4'-P energy: -53.979
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -36.467
tors. eta vs tors. theta energy: -86.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -873.730847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.730847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.730847 (E_RNA)
where:
Base-Base interactions energy: -587.743
where: short stacking energy: -263.844
Base-Backbone interact. energy: -0.648
local terms energy: -285.339808
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: -78.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -844.532831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.532831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.532831 (E_RNA)
where:
Base-Base interactions energy: -585.434
where: short stacking energy: -253.806
Base-Backbone interact. energy: -1.815
local terms energy: -257.283941
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -36.383
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: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -818.803652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.803652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.803652 (E_RNA)
where:
Base-Base interactions energy: -577.168
where: short stacking energy: -244.607
Base-Backbone interact. energy: -0.032
local terms energy: -241.603467
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -64.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -821.183877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.183877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.183877 (E_RNA)
where:
Base-Base interactions energy: -575.742
where: short stacking energy: -244.467
Base-Backbone interact. energy: 0.267
local terms energy: -245.708590
where:
bonds (distance) C4'-P energy: -31.960
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -74.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -753.781814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.781814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.781814 (E_RNA)
where:
Base-Base interactions energy: -514.513
where: short stacking energy: -221.080
Base-Backbone interact. energy: -0.554
local terms energy: -238.715577
where:
bonds (distance) C4'-P energy: -39.068
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -57.819
flat angles P-C4'-P energy: -40.702
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: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -730.670339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.670339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.670339 (E_RNA)
where:
Base-Base interactions energy: -490.776
where: short stacking energy: -206.112
Base-Backbone interact. energy: 0.175
local terms energy: -240.068989
where:
bonds (distance) C4'-P energy: -45.969
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -38.705
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: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -424.915852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.915852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.915852 (E_RNA)
where:
Base-Base interactions energy: -250.786
where: short stacking energy: -124.566
Base-Backbone interact. energy: -0.647
local terms energy: -173.483045
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -19.431
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: 176
Temperature: 1.350000
Total energy: -221.890087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.890087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.890087 (E_RNA)
where:
Base-Base interactions energy: -82.772
where: short stacking energy: -68.285
Base-Backbone interact. energy: -1.014
local terms energy: -138.104278
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: 11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -970.007310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.007310 (E_RNA)
where:
Base-Base interactions energy: -671.693
where: short stacking energy: -284.061
Base-Backbone interact. energy: -0.874
local terms energy: -297.439429
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -58.232
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -88.958
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: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -938.432307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.432307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.432307 (E_RNA)
where:
Base-Base interactions energy: -658.946
where: short stacking energy: -284.131
Base-Backbone interact. energy: -0.361
local terms energy: -279.125253
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -58.575
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: -87.134
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -877.127221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.127221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.127221 (E_RNA)
where:
Base-Base interactions energy: -589.353
where: short stacking energy: -265.400
Base-Backbone interact. energy: -0.202
local terms energy: -287.572078
where:
bonds (distance) C4'-P energy: -59.547
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -57.972
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -81.995
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: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -850.616836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.616836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.616836 (E_RNA)
where:
Base-Base interactions energy: -572.606
where: short stacking energy: -266.206
Base-Backbone interact. energy: -0.937
local terms energy: -277.073553
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -52.402
flat angles C4'-P-C4' energy: -59.152
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -75.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -812.712359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.712359 (E_RNA)
where:
Base-Base interactions energy: -561.769
where: short stacking energy: -242.133
Base-Backbone interact. energy: 0.422
local terms energy: -251.364879
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -69.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -796.961536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.961536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.961536 (E_RNA)
where:
Base-Base interactions energy: -541.973
where: short stacking energy: -243.140
Base-Backbone interact. energy: -0.501
local terms energy: -254.487883
where:
bonds (distance) C4'-P energy: -39.843
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -66.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -770.383893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.383893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.383893 (E_RNA)
where:
Base-Base interactions energy: -521.794
where: short stacking energy: -211.813
Base-Backbone interact. energy: 3.185
local terms energy: -251.774874
where:
bonds (distance) C4'-P energy: -49.102
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -59.868
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -57.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -728.581043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.581043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.581043 (E_RNA)
where:
Base-Base interactions energy: -515.602
where: short stacking energy: -213.957
Base-Backbone interact. energy: -0.440
local terms energy: -212.539553
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -48.417
flat angles P-C4'-P energy: -18.482
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: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -437.366070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.366070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.366070 (E_RNA)
where:
Base-Base interactions energy: -261.526
where: short stacking energy: -137.209
Base-Backbone interact. energy: 0.018
local terms energy: -175.858058
where:
bonds (distance) C4'-P energy: -45.122
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -206.547214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.547214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.547214 (E_RNA)
where:
Base-Base interactions energy: -63.146
where: short stacking energy: -53.625
Base-Backbone interact. energy: 1.173
local terms energy: -144.573560
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -44.917
flat angles C4'-P-C4' energy: -46.864
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: 12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -972.521649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.521649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.521649 (E_RNA)
where:
Base-Base interactions energy: -671.204
where: short stacking energy: -298.755
Base-Backbone interact. energy: -0.654
local terms energy: -300.662936
where:
bonds (distance) C4'-P energy: -52.509
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -91.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -955.207924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.207924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.207924 (E_RNA)
where:
Base-Base interactions energy: -655.436
where: short stacking energy: -300.471
Base-Backbone interact. energy: -0.846
local terms energy: -298.926465
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -54.905
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -89.291
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -899.230655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.230655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.230655 (E_RNA)
where:
Base-Base interactions energy: -623.709
where: short stacking energy: -272.048
Base-Backbone interact. energy: 3.346
local terms energy: -278.868137
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -48.366
flat angles C4'-P-C4' energy: -55.813
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -81.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -828.475099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.475099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.475099 (E_RNA)
where:
Base-Base interactions energy: -574.186
where: short stacking energy: -250.903
Base-Backbone interact. energy: -0.839
local terms energy: -253.449775
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -52.463
flat angles P-C4'-P energy: -34.696
tors. eta vs tors. theta energy: -71.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -806.116632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.116632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.116632 (E_RNA)
where:
Base-Base interactions energy: -549.638
where: short stacking energy: -235.121
Base-Backbone interact. energy: -0.382
local terms energy: -256.097392
where:
bonds (distance) C4'-P energy: -39.375
bonds (distance) P-C4' energy: -56.123
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -64.844
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: 178
Temperature: 1.150000
Total energy: -785.596183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.596183 (E_RNA)
where:
Base-Base interactions energy: -537.838
where: short stacking energy: -234.151
Base-Backbone interact. energy: -0.688
local terms energy: -247.070785
where:
bonds (distance) C4'-P energy: -54.748
bonds (distance) P-C4' energy: -47.397
flat angles C4'-P-C4' energy: -47.855
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -62.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -775.258387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.258387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.258387 (E_RNA)
where:
Base-Base interactions energy: -529.722
where: short stacking energy: -228.545
Base-Backbone interact. energy: -0.620
local terms energy: -244.916357
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -27.980
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: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -718.420261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.420261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.420261 (E_RNA)
where:
Base-Base interactions energy: -495.187
where: short stacking energy: -217.479
Base-Backbone interact. energy: -0.343
local terms energy: -222.890357
where:
bonds (distance) C4'-P energy: -39.215
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -59.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -463.782575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.782575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.782575 (E_RNA)
where:
Base-Base interactions energy: -282.411
where: short stacking energy: -124.181
Base-Backbone interact. energy: 1.522
local terms energy: -182.894394
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -52.580
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -234.009627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.009627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.009627 (E_RNA)
where:
Base-Base interactions energy: -60.972
where: short stacking energy: -54.724
Base-Backbone interact. energy: -1.604
local terms energy: -171.433406
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -47.991
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -27.625
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: 179
Temperature: 0.900000
Total energy: -969.020814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.020814 (E_RNA)
where:
Base-Base interactions energy: -668.507
where: short stacking energy: -294.262
Base-Backbone interact. energy: -0.872
local terms energy: -299.642003
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -85.956
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: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -959.747128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.747128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.747128 (E_RNA)
where:
Base-Base interactions energy: -666.468
where: short stacking energy: -301.816
Base-Backbone interact. energy: -0.738
local terms energy: -292.541565
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -63.694
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -91.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -858.838159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.838159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.838159 (E_RNA)
where:
Base-Base interactions energy: -580.862
where: short stacking energy: -246.505
Base-Backbone interact. energy: -0.253
local terms energy: -277.723201
where:
bonds (distance) C4'-P energy: -55.495
bonds (distance) P-C4' energy: -55.897
flat angles C4'-P-C4' energy: -55.283
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -72.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -835.422580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.422580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.422580 (E_RNA)
where:
Base-Base interactions energy: -581.837
where: short stacking energy: -242.320
Base-Backbone interact. energy: -0.735
local terms energy: -252.849946
where:
bonds (distance) C4'-P energy: -45.180
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -51.711
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -70.450
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: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -810.601197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.601197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.601197 (E_RNA)
where:
Base-Base interactions energy: -562.747
where: short stacking energy: -233.406
Base-Backbone interact. energy: -1.530
local terms energy: -246.324052
where:
bonds (distance) C4'-P energy: -50.096
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -58.511
flat angles P-C4'-P energy: -42.097
tors. eta vs tors. theta energy: -59.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -815.088257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.088257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.088257 (E_RNA)
where:
Base-Base interactions energy: -564.481
where: short stacking energy: -237.861
Base-Backbone interact. energy: -0.455
local terms energy: -250.153148
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -34.837
tors. eta vs tors. theta energy: -65.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -750.326363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.326363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.326363 (E_RNA)
where:
Base-Base interactions energy: -505.984
where: short stacking energy: -220.186
Base-Backbone interact. energy: -0.853
local terms energy: -243.489838
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -52.376
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -61.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -734.453254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.453254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.453254 (E_RNA)
where:
Base-Base interactions energy: -495.576
where: short stacking energy: -210.773
Base-Backbone interact. energy: 0.927
local terms energy: -239.803723
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -33.134
tors. eta vs tors. theta energy: -69.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -462.591539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.591539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.591539 (E_RNA)
where:
Base-Base interactions energy: -284.045
where: short stacking energy: -145.717
Base-Backbone interact. energy: 1.575
local terms energy: -180.121555
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -227.409802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.409802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409802 (E_RNA)
where:
Base-Base interactions energy: -87.795
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.134
local terms energy: -139.480431
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -40.805
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -958.437919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.437919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.437919 (E_RNA)
where:
Base-Base interactions energy: -678.947
where: short stacking energy: -302.644
Base-Backbone interact. energy: -0.956
local terms energy: -278.535669
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -87.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -957.331314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.331314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.331314 (E_RNA)
where:
Base-Base interactions energy: -672.665
where: short stacking energy: -292.887
Base-Backbone interact. energy: 0.130
local terms energy: -284.796010
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -57.498
flat angles P-C4'-P energy: -42.091
tors. eta vs tors. theta energy: -87.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -863.819629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.819629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.819629 (E_RNA)
where:
Base-Base interactions energy: -586.635
where: short stacking energy: -254.809
Base-Backbone interact. energy: -0.773
local terms energy: -276.412264
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -58.253
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -69.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -852.788054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.788054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.788054 (E_RNA)
where:
Base-Base interactions energy: -575.690
where: short stacking energy: -262.718
Base-Backbone interact. energy: -0.111
local terms energy: -276.987275
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -42.988
tors. eta vs tors. theta energy: -79.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -822.337726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.337726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.337726 (E_RNA)
where:
Base-Base interactions energy: -564.219
where: short stacking energy: -251.020
Base-Backbone interact. energy: 1.044
local terms energy: -259.162713
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -48.972
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -72.333
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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -783.171950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.171950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.171950 (E_RNA)
where:
Base-Base interactions energy: -544.081
where: short stacking energy: -238.516
Base-Backbone interact. energy: -0.277
local terms energy: -238.813561
where:
bonds (distance) C4'-P energy: -46.856
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -40.142
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: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -744.040395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.040395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.040395 (E_RNA)
where:
Base-Base interactions energy: -505.640
where: short stacking energy: -216.651
Base-Backbone interact. energy: -1.861
local terms energy: -236.539521
where:
bonds (distance) C4'-P energy: -50.368
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -62.966
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -729.485579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.485579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.485579 (E_RNA)
where:
Base-Base interactions energy: -503.753
where: short stacking energy: -217.172
Base-Backbone interact. energy: 0.326
local terms energy: -226.058502
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -57.400
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -441.431332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.431332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.431332 (E_RNA)
where:
Base-Base interactions energy: -265.320
where: short stacking energy: -117.305
Base-Backbone interact. energy: -0.980
local terms energy: -175.131432
where:
bonds (distance) C4'-P energy: -50.189
bonds (distance) P-C4' energy: -43.413
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -250.000987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.000987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.000987 (E_RNA)
where:
Base-Base interactions energy: -94.960
where: short stacking energy: -82.362
Base-Backbone interact. energy: 2.676
local terms energy: -157.716602
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -962.001990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.001990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.001990 (E_RNA)
where:
Base-Base interactions energy: -669.641
where: short stacking energy: -297.222
Base-Backbone interact. energy: -2.184
local terms energy: -290.176959
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -44.529
tors. eta vs tors. theta energy: -90.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -942.017587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.017587 (E_RNA)
where:
Base-Base interactions energy: -656.893
where: short stacking energy: -273.296
Base-Backbone interact. energy: -0.857
local terms energy: -284.267621
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -40.175
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -857.472029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.472029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.472029 (E_RNA)
where:
Base-Base interactions energy: -597.148
where: short stacking energy: -267.923
Base-Backbone interact. energy: -1.125
local terms energy: -259.199571
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -49.033
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -73.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -832.514564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.514564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.514564 (E_RNA)
where:
Base-Base interactions energy: -567.098
where: short stacking energy: -251.060
Base-Backbone interact. energy: -0.446
local terms energy: -264.971158
where:
bonds (distance) C4'-P energy: -50.822
bonds (distance) P-C4' energy: -48.117
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -69.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -845.336448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.336448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.336448 (E_RNA)
where:
Base-Base interactions energy: -593.115
where: short stacking energy: -255.574
Base-Backbone interact. energy: 1.184
local terms energy: -253.405888
where:
bonds (distance) C4'-P energy: -36.799
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -72.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -798.121630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.121630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.121630 (E_RNA)
where:
Base-Base interactions energy: -544.020
where: short stacking energy: -229.896
Base-Backbone interact. energy: -0.253
local terms energy: -253.847930
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -42.008
tors. eta vs tors. theta energy: -64.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -766.043041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.043041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.043041 (E_RNA)
where:
Base-Base interactions energy: -518.473
where: short stacking energy: -238.930
Base-Backbone interact. energy: -1.002
local terms energy: -246.568454
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -31.078
tors. eta vs tors. theta energy: -68.222
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -723.910608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.910608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.910608 (E_RNA)
where:
Base-Base interactions energy: -510.841
where: short stacking energy: -194.698
Base-Backbone interact. energy: 3.955
local terms energy: -217.024501
where:
bonds (distance) C4'-P energy: -38.048
bonds (distance) P-C4' energy: -46.021
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -31.480
tors. eta vs tors. theta energy: -47.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -481.273759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.273759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.273759 (E_RNA)
where:
Base-Base interactions energy: -296.982
where: short stacking energy: -128.640
Base-Backbone interact. energy: 0.425
local terms energy: -184.716796
where:
bonds (distance) C4'-P energy: -42.732
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -243.860515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.860515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.860515 (E_RNA)
where:
Base-Base interactions energy: -89.309
where: short stacking energy: -78.886
Base-Backbone interact. energy: -1.652
local terms energy: -152.899656
where:
bonds (distance) C4'-P energy: -40.961
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -39.723
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -965.106846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.106846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.106846 (E_RNA)
where:
Base-Base interactions energy: -671.092
where: short stacking energy: -296.913
Base-Backbone interact. energy: -0.820
local terms energy: -293.194539
where:
bonds (distance) C4'-P energy: -55.466
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: -89.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -947.572249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.572249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.572249 (E_RNA)
where:
Base-Base interactions energy: -663.961
where: short stacking energy: -295.592
Base-Backbone interact. energy: 0.125
local terms energy: -283.735851
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -48.569
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: -86.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -863.449193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.449193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.449193 (E_RNA)
where:
Base-Base interactions energy: -589.475
where: short stacking energy: -262.056
Base-Backbone interact. energy: -0.316
local terms energy: -273.658087
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -57.343
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -38.320
tors. eta vs tors. theta energy: -83.939
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: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -855.951799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.951799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.951799 (E_RNA)
where:
Base-Base interactions energy: -589.392
where: short stacking energy: -252.260
Base-Backbone interact. energy: -1.083
local terms energy: -265.476575
where:
bonds (distance) C4'-P energy: -45.878
bonds (distance) P-C4' energy: -47.421
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -67.235
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: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -833.175027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.175027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.175027 (E_RNA)
where:
Base-Base interactions energy: -569.010
where: short stacking energy: -249.101
Base-Backbone interact. energy: -1.142
local terms energy: -263.023600
where:
bonds (distance) C4'-P energy: -44.414
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -57.252
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -769.683635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.683635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.683635 (E_RNA)
where:
Base-Base interactions energy: -512.309
where: short stacking energy: -230.152
Base-Backbone interact. energy: -0.439
local terms energy: -256.935643
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -51.583
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -68.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -768.631213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.631213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.631213 (E_RNA)
where:
Base-Base interactions energy: -519.494
where: short stacking energy: -211.459
Base-Backbone interact. energy: -1.727
local terms energy: -247.410411
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -48.330
flat angles C4'-P-C4' energy: -59.265
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -61.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -729.666333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.666333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.666333 (E_RNA)
where:
Base-Base interactions energy: -498.339
where: short stacking energy: -205.976
Base-Backbone interact. energy: -0.712
local terms energy: -230.615592
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -52.846
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: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -493.025684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.025684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.025684 (E_RNA)
where:
Base-Base interactions energy: -305.430
where: short stacking energy: -134.504
Base-Backbone interact. energy: 1.302
local terms energy: -188.897205
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -31.128
tors. eta vs tors. theta energy: -34.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -229.741118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.741118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741118 (E_RNA)
where:
Base-Base interactions energy: -78.385
where: short stacking energy: -74.643
Base-Backbone interact. energy: 4.545
local terms energy: -155.900713
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -1.967
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -957.396028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.396028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.396028 (E_RNA)
where:
Base-Base interactions energy: -675.688
where: short stacking energy: -289.418
Base-Backbone interact. energy: -0.973
local terms energy: -280.735213
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -35.546
tors. eta vs tors. theta energy: -88.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -950.861131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.861131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.861131 (E_RNA)
where:
Base-Base interactions energy: -659.122
where: short stacking energy: -283.896
Base-Backbone interact. energy: -0.327
local terms energy: -291.412453
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -51.777
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -86.821
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: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -835.658796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.658796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.658796 (E_RNA)
where:
Base-Base interactions energy: -572.626
where: short stacking energy: -252.572
Base-Backbone interact. energy: -0.196
local terms energy: -262.836973
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -55.922
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -68.472
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -853.244238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.244238 (E_RNA)
where:
Base-Base interactions energy: -583.461
where: short stacking energy: -250.634
Base-Backbone interact. energy: -0.035
local terms energy: -269.748939
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -74.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -822.025020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.025020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.025020 (E_RNA)
where:
Base-Base interactions energy: -568.869
where: short stacking energy: -243.223
Base-Backbone interact. energy: -0.191
local terms energy: -252.965434
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -46.540
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -37.385
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -785.994093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.994093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.994093 (E_RNA)
where:
Base-Base interactions energy: -542.208
where: short stacking energy: -234.971
Base-Backbone interact. energy: 0.230
local terms energy: -244.016272
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -43.964
flat angles C4'-P-C4' energy: -56.972
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -70.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -735.792192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.792192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.792192 (E_RNA)
where:
Base-Base interactions energy: -497.233
where: short stacking energy: -215.245
Base-Backbone interact. energy: -0.338
local terms energy: -238.221929
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -52.933
flat angles C4'-P-C4' energy: -47.946
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -740.831371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.831371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.831371 (E_RNA)
where:
Base-Base interactions energy: -518.401
where: short stacking energy: -232.834
Base-Backbone interact. energy: -0.909
local terms energy: -221.521878
where:
bonds (distance) C4'-P energy: -49.034
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -59.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -496.316344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.316344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.316344 (E_RNA)
where:
Base-Base interactions energy: -309.258
where: short stacking energy: -131.761
Base-Backbone interact. energy: -1.342
local terms energy: -185.716108
where:
bonds (distance) C4'-P energy: -48.811
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -221.145383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145383 (E_RNA)
where:
Base-Base interactions energy: -81.509
where: short stacking energy: -63.161
Base-Backbone interact. energy: 0.615
local terms energy: -140.251595
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -50.816
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: 17.598
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -974.122021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.122021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.122021 (E_RNA)
where:
Base-Base interactions energy: -674.048
where: short stacking energy: -294.224
Base-Backbone interact. energy: -1.155
local terms energy: -298.918960
where:
bonds (distance) C4'-P energy: -53.521
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -41.677
tors. eta vs tors. theta energy: -87.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -948.610168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.610168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.610168 (E_RNA)
where:
Base-Base interactions energy: -654.162
where: short stacking energy: -286.715
Base-Backbone interact. energy: -0.682
local terms energy: -293.766391
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -54.273
flat angles C4'-P-C4' energy: -60.762
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -84.212
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -875.623486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.623486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.623486 (E_RNA)
where:
Base-Base interactions energy: -589.519
where: short stacking energy: -271.274
Base-Backbone interact. energy: -0.518
local terms energy: -285.585813
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -59.662
flat angles P-C4'-P energy: -47.444
tors. eta vs tors. theta energy: -81.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -811.696793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.696793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.696793 (E_RNA)
where:
Base-Base interactions energy: -570.333
where: short stacking energy: -244.762
Base-Backbone interact. energy: 0.324
local terms energy: -241.687667
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -42.799
flat angles C4'-P-C4' energy: -52.659
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -65.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -829.278219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.278219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.278219 (E_RNA)
where:
Base-Base interactions energy: -567.261
where: short stacking energy: -255.113
Base-Backbone interact. energy: -0.621
local terms energy: -261.395980
where:
bonds (distance) C4'-P energy: -48.370
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -67.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -782.292525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.292525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.292525 (E_RNA)
where:
Base-Base interactions energy: -523.989
where: short stacking energy: -230.538
Base-Backbone interact. energy: -0.811
local terms energy: -257.492807
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -48.301
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -72.546
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: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -730.663801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.663801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.663801 (E_RNA)
where:
Base-Base interactions energy: -499.733
where: short stacking energy: -218.669
Base-Backbone interact. energy: -0.882
local terms energy: -230.048557
where:
bonds (distance) C4'-P energy: -44.568
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -727.237243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.237243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.237243 (E_RNA)
where:
Base-Base interactions energy: -497.177
where: short stacking energy: -205.315
Base-Backbone interact. energy: -1.276
local terms energy: -228.784170
where:
bonds (distance) C4'-P energy: -42.938
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -48.365
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -52.415
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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -476.137450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.137450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.137450 (E_RNA)
where:
Base-Base interactions energy: -289.871
where: short stacking energy: -140.772
Base-Backbone interact. energy: 3.160
local terms energy: -189.426224
where:
bonds (distance) C4'-P energy: -42.861
bonds (distance) P-C4' energy: -50.499
flat angles C4'-P-C4' energy: -40.252
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -225.361436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.361436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.361436 (E_RNA)
where:
Base-Base interactions energy: -70.631
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.756
local terms energy: -153.974648
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -973.120460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.120460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120460 (E_RNA)
where:
Base-Base interactions energy: -668.524
where: short stacking energy: -290.219
Base-Backbone interact. energy: -1.324
local terms energy: -303.272702
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -84.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -964.126102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.126102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.126102 (E_RNA)
where:
Base-Base interactions energy: -663.542
where: short stacking energy: -290.701
Base-Backbone interact. energy: -1.407
local terms energy: -299.177589
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -57.410
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: -84.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -893.956251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.956251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.956251 (E_RNA)
where:
Base-Base interactions energy: -631.395
where: short stacking energy: -277.318
Base-Backbone interact. energy: -1.320
local terms energy: -261.241813
where:
bonds (distance) C4'-P energy: -43.285
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -57.365
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -73.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -840.816142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.816142 (E_RNA)
where:
Base-Base interactions energy: -574.635
where: short stacking energy: -246.020
Base-Backbone interact. energy: -0.402
local terms energy: -265.779206
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -56.979
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -73.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -792.751628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.751628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.751628 (E_RNA)
where:
Base-Base interactions energy: -537.966
where: short stacking energy: -243.947
Base-Backbone interact. energy: 0.438
local terms energy: -255.224077
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -77.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -796.568463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.568463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.568463 (E_RNA)
where:
Base-Base interactions energy: -542.593
where: short stacking energy: -229.848
Base-Backbone interact. energy: -0.607
local terms energy: -253.367902
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -62.882
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -760.701710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.701710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.701710 (E_RNA)
where:
Base-Base interactions energy: -522.264
where: short stacking energy: -219.258
Base-Backbone interact. energy: -0.304
local terms energy: -238.133607
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -62.487
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: 185
Temperature: 1.250000
Total energy: -723.909209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.909209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.909209 (E_RNA)
where:
Base-Base interactions energy: -506.596
where: short stacking energy: -208.035
Base-Backbone interact. energy: -0.878
local terms energy: -216.435189
where:
bonds (distance) C4'-P energy: -41.442
bonds (distance) P-C4' energy: -43.026
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -54.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -482.662335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.662335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.662335 (E_RNA)
where:
Base-Base interactions energy: -297.789
where: short stacking energy: -125.562
Base-Backbone interact. energy: 0.016
local terms energy: -184.889061
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -44.742
flat angles C4'-P-C4' energy: -44.702
flat angles P-C4'-P energy: -29.095
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: 185
Temperature: 1.350000
Total energy: -225.259367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259367 (E_RNA)
where:
Base-Base interactions energy: -65.247
where: short stacking energy: -63.657
Base-Backbone interact. energy: 2.094
local terms energy: -162.106619
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -48.970
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -31.955
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: 186
Temperature: 0.900000
Total energy: -971.016883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.016883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.016883 (E_RNA)
where:
Base-Base interactions energy: -674.980
where: short stacking energy: -298.584
Base-Backbone interact. energy: -0.695
local terms energy: -295.341835
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -87.420
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: 186
Temperature: 0.950000
Total energy: -964.405132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.405132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.405132 (E_RNA)
where:
Base-Base interactions energy: -665.524
where: short stacking energy: -286.679
Base-Backbone interact. energy: -0.856
local terms energy: -298.025178
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -49.577
tors. eta vs tors. theta energy: -89.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -862.265875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.265875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.265875 (E_RNA)
where:
Base-Base interactions energy: -577.724
where: short stacking energy: -257.286
Base-Backbone interact. energy: -0.755
local terms energy: -283.787192
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -50.950
flat angles C4'-P-C4' energy: -62.347
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -73.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -846.481639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.481639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.481639 (E_RNA)
where:
Base-Base interactions energy: -591.656
where: short stacking energy: -254.191
Base-Backbone interact. energy: 0.266
local terms energy: -255.092435
where:
bonds (distance) C4'-P energy: -39.422
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -76.222
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -838.198357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.198357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.198357 (E_RNA)
where:
Base-Base interactions energy: -576.023
where: short stacking energy: -252.854
Base-Backbone interact. energy: -0.704
local terms energy: -261.471429
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -70.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -797.946460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.946460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.946460 (E_RNA)
where:
Base-Base interactions energy: -542.764
where: short stacking energy: -238.299
Base-Backbone interact. energy: -0.260
local terms energy: -254.922563
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -47.964
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -62.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -743.177517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.177517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.177517 (E_RNA)
where:
Base-Base interactions energy: -511.245
where: short stacking energy: -214.574
Base-Backbone interact. energy: 0.199
local terms energy: -232.131619
where:
bonds (distance) C4'-P energy: -52.446
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -53.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -714.825122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.825122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.825122 (E_RNA)
where:
Base-Base interactions energy: -487.868
where: short stacking energy: -211.510
Base-Backbone interact. energy: 0.167
local terms energy: -227.124353
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -42.949
flat angles C4'-P-C4' energy: -49.069
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -55.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -455.322058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.322058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.322058 (E_RNA)
where:
Base-Base interactions energy: -280.061
where: short stacking energy: -127.670
Base-Backbone interact. energy: -0.911
local terms energy: -174.349524
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -15.321
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: 186
Temperature: 1.350000
Total energy: -235.847548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.847548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.847548 (E_RNA)
where:
Base-Base interactions energy: -81.772
where: short stacking energy: -76.125
Base-Backbone interact. energy: -0.612
local terms energy: -153.463600
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -50.868
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -972.672234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.672234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.672234 (E_RNA)
where:
Base-Base interactions energy: -674.866
where: short stacking energy: -292.587
Base-Backbone interact. energy: -1.050
local terms energy: -296.757170
where:
bonds (distance) C4'-P energy: -50.699
bonds (distance) P-C4' energy: -52.085
flat angles C4'-P-C4' energy: -62.074
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -90.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -942.182079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.182079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.182079 (E_RNA)
where:
Base-Base interactions energy: -650.324
where: short stacking energy: -285.242
Base-Backbone interact. energy: -1.267
local terms energy: -290.590681
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -49.729
flat angles C4'-P-C4' energy: -60.067
flat angles P-C4'-P energy: -48.979
tors. eta vs tors. theta energy: -84.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -877.216747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.216747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.216747 (E_RNA)
where:
Base-Base interactions energy: -592.805
where: short stacking energy: -258.689
Base-Backbone interact. energy: 0.429
local terms energy: -284.840625
where:
bonds (distance) C4'-P energy: -53.014
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -74.867
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: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -825.341988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.341988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.341988 (E_RNA)
where:
Base-Base interactions energy: -555.928
where: short stacking energy: -256.745
Base-Backbone interact. energy: -1.365
local terms energy: -268.049182
where:
bonds (distance) C4'-P energy: -53.854
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -73.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -815.293161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.293161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.293161 (E_RNA)
where:
Base-Base interactions energy: -560.674
where: short stacking energy: -244.898
Base-Backbone interact. energy: -0.391
local terms energy: -254.228170
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -55.212
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -65.406
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: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -795.964674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.964674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.964674 (E_RNA)
where:
Base-Base interactions energy: -522.841
where: short stacking energy: -233.834
Base-Backbone interact. energy: -0.466
local terms energy: -272.658418
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -70.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -753.550355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.550355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.550355 (E_RNA)
where:
Base-Base interactions energy: -515.345
where: short stacking energy: -220.738
Base-Backbone interact. energy: -0.959
local terms energy: -237.245956
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -43.978
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -61.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -719.787309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.787309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.787309 (E_RNA)
where:
Base-Base interactions energy: -502.827
where: short stacking energy: -211.455
Base-Backbone interact. energy: 0.656
local terms energy: -217.616456
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -45.878
flat angles P-C4'-P energy: -31.066
tors. eta vs tors. theta energy: -55.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -433.380565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.380565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.380565 (E_RNA)
where:
Base-Base interactions energy: -241.454
where: short stacking energy: -113.818
Base-Backbone interact. energy: -0.409
local terms energy: -191.517209
where:
bonds (distance) C4'-P energy: -51.057
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: -15.106
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: 187
Temperature: 1.350000
Total energy: -232.315848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.315848 (E_RNA)
where:
Base-Base interactions energy: -95.117
where: short stacking energy: -73.057
Base-Backbone interact. energy: 1.736
local terms energy: -138.935344
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -49.333
flat angles C4'-P-C4' energy: -41.262
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: 7.954
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: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -976.123556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.123556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.123556 (E_RNA)
where:
Base-Base interactions energy: -686.077
where: short stacking energy: -286.188
Base-Backbone interact. energy: -1.486
local terms energy: -288.560300
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -54.390
flat angles C4'-P-C4' energy: -58.806
flat angles P-C4'-P energy: -40.182
tors. eta vs tors. theta energy: -86.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -952.440639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.440639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.440639 (E_RNA)
where:
Base-Base interactions energy: -671.033
where: short stacking energy: -288.173
Base-Backbone interact. energy: 0.754
local terms energy: -282.161493
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -88.760
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: 188
Temperature: 1.000000
Total energy: -873.498851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.498851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.498851 (E_RNA)
where:
Base-Base interactions energy: -594.777
where: short stacking energy: -271.217
Base-Backbone interact. energy: -0.108
local terms energy: -278.613633
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -78.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -852.341476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.341476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.341476 (E_RNA)
where:
Base-Base interactions energy: -582.006
where: short stacking energy: -249.020
Base-Backbone interact. energy: -0.223
local terms energy: -270.111654
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -62.177
flat angles P-C4'-P energy: -42.213
tors. eta vs tors. theta energy: -63.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -841.800626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.800626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.800626 (E_RNA)
where:
Base-Base interactions energy: -567.538
where: short stacking energy: -249.789
Base-Backbone interact. energy: -0.321
local terms energy: -273.941352
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -71.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -767.199244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.199244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.199244 (E_RNA)
where:
Base-Base interactions energy: -535.547
where: short stacking energy: -232.153
Base-Backbone interact. energy: -1.043
local terms energy: -230.608845
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -56.912
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -60.355
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -737.005151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.005151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.005151 (E_RNA)
where:
Base-Base interactions energy: -502.298
where: short stacking energy: -199.845
Base-Backbone interact. energy: 1.116
local terms energy: -235.823192
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -39.468
flat angles C4'-P-C4' energy: -59.416
flat angles P-C4'-P energy: -38.128
tors. eta vs tors. theta energy: -50.167
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -697.781852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.781852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.781852 (E_RNA)
where:
Base-Base interactions energy: -486.234
where: short stacking energy: -197.527
Base-Backbone interact. energy: -0.579
local terms energy: -210.968666
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -54.638
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -425.877874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.877874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.877874 (E_RNA)
where:
Base-Base interactions energy: -253.071
where: short stacking energy: -111.194
Base-Backbone interact. energy: -1.911
local terms energy: -170.895722
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -229.894802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.894802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.894802 (E_RNA)
where:
Base-Base interactions energy: -72.872
where: short stacking energy: -54.933
Base-Backbone interact. energy: -0.874
local terms energy: -156.148821
where:
bonds (distance) C4'-P energy: -50.007
bonds (distance) P-C4' energy: -47.486
flat angles C4'-P-C4' energy: -41.971
flat angles P-C4'-P energy: -28.019
tors. eta vs tors. theta energy: 11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -977.920130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.920130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.920130 (E_RNA)
where:
Base-Base interactions energy: -678.799
where: short stacking energy: -280.099
Base-Backbone interact. energy: -0.833
local terms energy: -298.287855
where:
bonds (distance) C4'-P energy: -54.447
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: -85.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -951.888153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.888153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.888153 (E_RNA)
where:
Base-Base interactions energy: -667.196
where: short stacking energy: -278.724
Base-Backbone interact. energy: -1.035
local terms energy: -283.657179
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -56.472
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -83.969
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: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -860.023911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.023911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.023911 (E_RNA)
where:
Base-Base interactions energy: -583.607
where: short stacking energy: -251.206
Base-Backbone interact. energy: -0.126
local terms energy: -276.290997
where:
bonds (distance) C4'-P energy: -45.311
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -64.216
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -76.523
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: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -859.486262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.486262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.486262 (E_RNA)
where:
Base-Base interactions energy: -600.086
where: short stacking energy: -252.771
Base-Backbone interact. energy: 0.134
local terms energy: -259.534685
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -57.552
flat angles C4'-P-C4' energy: -55.816
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -66.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -805.088746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.088746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.088746 (E_RNA)
where:
Base-Base interactions energy: -553.804
where: short stacking energy: -241.052
Base-Backbone interact. energy: -1.169
local terms energy: -250.115560
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -46.059
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -64.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -778.620027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.620027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.620027 (E_RNA)
where:
Base-Base interactions energy: -531.571
where: short stacking energy: -216.933
Base-Backbone interact. energy: -0.641
local terms energy: -246.407597
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -55.249
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -42.227
tors. eta vs tors. theta energy: -54.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -739.958661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.958661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.958661 (E_RNA)
where:
Base-Base interactions energy: -495.742
where: short stacking energy: -207.461
Base-Backbone interact. energy: -0.466
local terms energy: -243.750304
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -59.992
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: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -665.474822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.474822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.474822 (E_RNA)
where:
Base-Base interactions energy: -454.440
where: short stacking energy: -193.600
Base-Backbone interact. energy: -0.463
local terms energy: -210.571524
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -46.044
flat angles C4'-P-C4' energy: -51.700
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -47.794
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: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -409.435445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.435445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.435445 (E_RNA)
where:
Base-Base interactions energy: -237.083
where: short stacking energy: -113.628
Base-Backbone interact. energy: -1.070
local terms energy: -171.282737
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -243.148554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.148554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.148554 (E_RNA)
where:
Base-Base interactions energy: -89.207
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.421
local terms energy: -153.521018
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -47.551
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -6.467
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -956.382592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.382592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.382592 (E_RNA)
where:
Base-Base interactions energy: -667.457
where: short stacking energy: -279.733
Base-Backbone interact. energy: -1.123
local terms energy: -287.802468
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -86.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -952.382971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.382971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.382971 (E_RNA)
where:
Base-Base interactions energy: -668.226
where: short stacking energy: -287.081
Base-Backbone interact. energy: -0.689
local terms energy: -283.467942
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -57.121
flat angles P-C4'-P energy: -46.091
tors. eta vs tors. theta energy: -87.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -854.433461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.433461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.433461 (E_RNA)
where:
Base-Base interactions energy: -588.108
where: short stacking energy: -255.132
Base-Backbone interact. energy: -0.414
local terms energy: -265.911999
where:
bonds (distance) C4'-P energy: -53.344
bonds (distance) P-C4' energy: -45.023
flat angles C4'-P-C4' energy: -64.769
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -69.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -849.006998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.006998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.006998 (E_RNA)
where:
Base-Base interactions energy: -584.353
where: short stacking energy: -255.940
Base-Backbone interact. energy: 0.097
local terms energy: -264.750845
where:
bonds (distance) C4'-P energy: -48.602
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -32.002
tors. eta vs tors. theta energy: -72.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -807.980003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.980003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.980003 (E_RNA)
where:
Base-Base interactions energy: -543.018
where: short stacking energy: -231.538
Base-Backbone interact. energy: -0.438
local terms energy: -264.523378
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -52.417
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: -63.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -783.451285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.451285 (E_RNA)
where:
Base-Base interactions energy: -527.452
where: short stacking energy: -220.810
Base-Backbone interact. energy: -0.930
local terms energy: -255.069001
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -55.625
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: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -755.316658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.316658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.316658 (E_RNA)
where:
Base-Base interactions energy: -520.057
where: short stacking energy: -210.007
Base-Backbone interact. energy: -0.696
local terms energy: -234.563162
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -40.681
flat angles C4'-P-C4' energy: -47.629
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -59.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -720.495272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.495272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.495272 (E_RNA)
where:
Base-Base interactions energy: -495.155
where: short stacking energy: -212.685
Base-Backbone interact. energy: -0.908
local terms energy: -224.431835
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -40.080
flat angles C4'-P-C4' energy: -48.545
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -57.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -429.386672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.386672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.386672 (E_RNA)
where:
Base-Base interactions energy: -233.741
where: short stacking energy: -101.282
Base-Backbone interact. energy: -1.837
local terms energy: -193.808959
where:
bonds (distance) C4'-P energy: -57.538
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: -19.447
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: 190
Temperature: 1.350000
Total energy: -241.881645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.881645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.881645 (E_RNA)
where:
Base-Base interactions energy: -104.212
where: short stacking energy: -77.307
Base-Backbone interact. energy: 3.866
local terms energy: -141.535539
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -960.020489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.020489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.020489 (E_RNA)
where:
Base-Base interactions energy: -656.642
where: short stacking energy: -293.926
Base-Backbone interact. energy: 2.704
local terms energy: -306.081909
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -63.926
flat angles P-C4'-P energy: -48.287
tors. eta vs tors. theta energy: -92.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -953.830333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.830333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.830333 (E_RNA)
where:
Base-Base interactions energy: -655.356
where: short stacking energy: -283.382
Base-Backbone interact. energy: -0.152
local terms energy: -298.322176
where:
bonds (distance) C4'-P energy: -60.980
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -45.446
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -851.923119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.923119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.923119 (E_RNA)
where:
Base-Base interactions energy: -577.908
where: short stacking energy: -247.221
Base-Backbone interact. energy: -0.284
local terms energy: -273.731211
where:
bonds (distance) C4'-P energy: -55.016
bonds (distance) P-C4' energy: -54.322
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -71.248
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: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -850.752431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.752431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.752431 (E_RNA)
where:
Base-Base interactions energy: -588.026
where: short stacking energy: -248.063
Base-Backbone interact. energy: -0.527
local terms energy: -262.198684
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -71.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -819.297392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.297392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.297392 (E_RNA)
where:
Base-Base interactions energy: -565.674
where: short stacking energy: -252.176
Base-Backbone interact. energy: 0.953
local terms energy: -254.576288
where:
bonds (distance) C4'-P energy: -43.085
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -56.282
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -69.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -806.347306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.347306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.347306 (E_RNA)
where:
Base-Base interactions energy: -552.276
where: short stacking energy: -232.581
Base-Backbone interact. energy: -0.522
local terms energy: -253.548623
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -44.609
flat angles C4'-P-C4' energy: -50.732
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -70.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -775.760332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.760332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.760332 (E_RNA)
where:
Base-Base interactions energy: -534.692
where: short stacking energy: -224.162
Base-Backbone interact. energy: -1.194
local terms energy: -239.874532
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -30.019
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: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -714.705673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.705673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.705673 (E_RNA)
where:
Base-Base interactions energy: -498.029
where: short stacking energy: -218.076
Base-Backbone interact. energy: 0.355
local terms energy: -217.031639
where:
bonds (distance) C4'-P energy: -49.707
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -56.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -402.278542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.278542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.278542 (E_RNA)
where:
Base-Base interactions energy: -235.799
where: short stacking energy: -108.408
Base-Backbone interact. energy: 0.953
local terms energy: -167.432525
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -54.059
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -234.966362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.966362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.966362 (E_RNA)
where:
Base-Base interactions energy: -95.765
where: short stacking energy: -87.431
Base-Backbone interact. energy: -0.878
local terms energy: -138.322838
where:
bonds (distance) C4'-P energy: -44.762
bonds (distance) P-C4' energy: -41.156
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -0.044
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -959.562614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.562614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.562614 (E_RNA)
where:
Base-Base interactions energy: -665.937
where: short stacking energy: -276.341
Base-Backbone interact. energy: -0.108
local terms energy: -293.518182
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -57.501
flat angles C4'-P-C4' energy: -61.979
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -78.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -933.516124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.516124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.516124 (E_RNA)
where:
Base-Base interactions energy: -649.502
where: short stacking energy: -271.199
Base-Backbone interact. energy: 0.035
local terms energy: -284.049036
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -50.256
tors. eta vs tors. theta energy: -82.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -860.276844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.276844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.276844 (E_RNA)
where:
Base-Base interactions energy: -583.803
where: short stacking energy: -258.434
Base-Backbone interact. energy: -0.899
local terms energy: -275.574800
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -73.916
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: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -836.917590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.917590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.917590 (E_RNA)
where:
Base-Base interactions energy: -585.583
where: short stacking energy: -255.629
Base-Backbone interact. energy: 1.778
local terms energy: -253.112569
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -34.327
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: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -800.496541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.496541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.496541 (E_RNA)
where:
Base-Base interactions energy: -543.808
where: short stacking energy: -234.373
Base-Backbone interact. energy: -0.572
local terms energy: -256.117403
where:
bonds (distance) C4'-P energy: -51.578
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -31.917
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: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -821.887333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.887333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.887333 (E_RNA)
where:
Base-Base interactions energy: -560.723
where: short stacking energy: -246.029
Base-Backbone interact. energy: -0.040
local terms energy: -261.125014
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -64.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -752.384703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.384703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.384703 (E_RNA)
where:
Base-Base interactions energy: -524.346
where: short stacking energy: -223.991
Base-Backbone interact. energy: 2.487
local terms energy: -230.525368
where:
bonds (distance) C4'-P energy: -43.975
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -51.932
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -56.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -782.592278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.592278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.592278 (E_RNA)
where:
Base-Base interactions energy: -543.211
where: short stacking energy: -224.430
Base-Backbone interact. energy: -0.315
local terms energy: -239.066346
where:
bonds (distance) C4'-P energy: -45.819
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -438.468089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.468089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.468089 (E_RNA)
where:
Base-Base interactions energy: -258.207
where: short stacking energy: -125.298
Base-Backbone interact. energy: -0.129
local terms energy: -180.132094
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -276.727623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.727623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.727623 (E_RNA)
where:
Base-Base interactions energy: -124.522
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.582
local terms energy: -151.623677
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: 2.994
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: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -967.521522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.521522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.521522 (E_RNA)
where:
Base-Base interactions energy: -673.835
where: short stacking energy: -287.358
Base-Backbone interact. energy: -0.113
local terms energy: -293.573604
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -88.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -955.552653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.552653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.552653 (E_RNA)
where:
Base-Base interactions energy: -657.573
where: short stacking energy: -289.934
Base-Backbone interact. energy: -0.631
local terms energy: -297.348376
where:
bonds (distance) C4'-P energy: -50.246
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -90.639
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: 193
Temperature: 1.000000
Total energy: -861.610094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.610094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.610094 (E_RNA)
where:
Base-Base interactions energy: -607.266
where: short stacking energy: -265.206
Base-Backbone interact. energy: -1.269
local terms energy: -253.074843
where:
bonds (distance) C4'-P energy: -46.613
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -62.539
flat angles P-C4'-P energy: -30.637
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -839.348831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.348831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.348831 (E_RNA)
where:
Base-Base interactions energy: -589.711
where: short stacking energy: -242.839
Base-Backbone interact. energy: -0.654
local terms energy: -248.983397
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -44.820
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -78.925
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: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -799.014436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.014436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.014436 (E_RNA)
where:
Base-Base interactions energy: -539.691
where: short stacking energy: -234.992
Base-Backbone interact. energy: -0.385
local terms energy: -258.938368
where:
bonds (distance) C4'-P energy: -49.111
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -64.599
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -764.086735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.086735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.086735 (E_RNA)
where:
Base-Base interactions energy: -514.555
where: short stacking energy: -223.183
Base-Backbone interact. energy: -0.252
local terms energy: -249.279662
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -53.040
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: -55.601
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: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -803.361525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.361525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.361525 (E_RNA)
where:
Base-Base interactions energy: -556.252
where: short stacking energy: -231.793
Base-Backbone interact. energy: -0.574
local terms energy: -246.536102
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -50.279
flat angles P-C4'-P energy: -37.650
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: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -727.535211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.535211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.535211 (E_RNA)
where:
Base-Base interactions energy: -501.563
where: short stacking energy: -209.934
Base-Backbone interact. energy: -0.825
local terms energy: -225.147423
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -44.365
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -418.929302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.929302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.929302 (E_RNA)
where:
Base-Base interactions energy: -239.737
where: short stacking energy: -116.533
Base-Backbone interact. energy: 0.338
local terms energy: -179.530018
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -52.683
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -252.646903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.646903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.646903 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -76.869
Base-Backbone interact. energy: -0.427
local terms energy: -125.360510
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -46.139
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: 4.598
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: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -952.485866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.485866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.485866 (E_RNA)
where:
Base-Base interactions energy: -664.063
where: short stacking energy: -286.021
Base-Backbone interact. energy: 0.639
local terms energy: -289.061939
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -61.468
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -939.175063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.175063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.175063 (E_RNA)
where:
Base-Base interactions energy: -664.861
where: short stacking energy: -295.841
Base-Backbone interact. energy: -0.659
local terms energy: -273.655168
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -83.190
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -855.490120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.490120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.490120 (E_RNA)
where:
Base-Base interactions energy: -583.912
where: short stacking energy: -263.810
Base-Backbone interact. energy: -0.289
local terms energy: -271.289108
where:
bonds (distance) C4'-P energy: -46.379
bonds (distance) P-C4' energy: -53.641
flat angles C4'-P-C4' energy: -58.138
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -81.067
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: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -844.006934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.006934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.006934 (E_RNA)
where:
Base-Base interactions energy: -564.641
where: short stacking energy: -243.913
Base-Backbone interact. energy: -0.524
local terms energy: -278.841407
where:
bonds (distance) C4'-P energy: -49.604
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -45.471
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -796.574888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.574888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.574888 (E_RNA)
where:
Base-Base interactions energy: -551.989
where: short stacking energy: -235.624
Base-Backbone interact. energy: 0.124
local terms energy: -244.710763
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -42.040
flat angles C4'-P-C4' energy: -52.103
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -68.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -742.375833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.375833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.375833 (E_RNA)
where:
Base-Base interactions energy: -497.987
where: short stacking energy: -215.181
Base-Backbone interact. energy: 0.642
local terms energy: -245.031270
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -55.769
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -762.391541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.391541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.391541 (E_RNA)
where:
Base-Base interactions energy: -512.940
where: short stacking energy: -217.868
Base-Backbone interact. energy: 0.873
local terms energy: -250.324786
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -61.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -774.475197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.475197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.475197 (E_RNA)
where:
Base-Base interactions energy: -538.102
where: short stacking energy: -228.715
Base-Backbone interact. energy: 0.060
local terms energy: -236.432925
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -45.526
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -62.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -405.145942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.145942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.145942 (E_RNA)
where:
Base-Base interactions energy: -242.813
where: short stacking energy: -104.864
Base-Backbone interact. energy: -0.929
local terms energy: -161.404360
where:
bonds (distance) C4'-P energy: -38.041
bonds (distance) P-C4' energy: -42.885
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -231.586413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586413 (E_RNA)
where:
Base-Base interactions energy: -93.650
where: short stacking energy: -63.019
Base-Backbone interact. energy: -1.156
local terms energy: -136.780137
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -50.716
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: 9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -982.646457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.646457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.646457 (E_RNA)
where:
Base-Base interactions energy: -679.256
where: short stacking energy: -307.750
Base-Backbone interact. energy: -0.441
local terms energy: -302.949496
where:
bonds (distance) C4'-P energy: -56.263
bonds (distance) P-C4' energy: -53.145
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -87.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -939.083290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.083290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.083290 (E_RNA)
where:
Base-Base interactions energy: -654.319
where: short stacking energy: -287.732
Base-Backbone interact. energy: 1.743
local terms energy: -286.508007
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -55.966
flat angles C4'-P-C4' energy: -58.174
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -84.325
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: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -859.843847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.843847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.843847 (E_RNA)
where:
Base-Base interactions energy: -587.510
where: short stacking energy: -260.715
Base-Backbone interact. energy: 0.172
local terms energy: -272.505779
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -52.700
flat angles P-C4'-P energy: -42.803
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: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -849.601036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.601036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.601036 (E_RNA)
where:
Base-Base interactions energy: -579.443
where: short stacking energy: -265.813
Base-Backbone interact. energy: 0.532
local terms energy: -270.690057
where:
bonds (distance) C4'-P energy: -51.700
bonds (distance) P-C4' energy: -47.765
flat angles C4'-P-C4' energy: -57.835
flat angles P-C4'-P energy: -40.281
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -835.085947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.085947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.085947 (E_RNA)
where:
Base-Base interactions energy: -565.024
where: short stacking energy: -258.725
Base-Backbone interact. energy: -0.313
local terms energy: -269.749154
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -60.394
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: -77.003
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: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -797.675333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.675333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.675333 (E_RNA)
where:
Base-Base interactions energy: -557.083
where: short stacking energy: -244.054
Base-Backbone interact. energy: 0.070
local terms energy: -240.662194
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -46.233
flat angles C4'-P-C4' energy: -45.501
flat angles P-C4'-P energy: -30.842
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -756.203809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.203809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.203809 (E_RNA)
where:
Base-Base interactions energy: -517.873
where: short stacking energy: -220.485
Base-Backbone interact. energy: -0.142
local terms energy: -238.189124
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -48.455
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -61.208
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: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -750.540124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.540124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.540124 (E_RNA)
where:
Base-Base interactions energy: -500.849
where: short stacking energy: -212.405
Base-Backbone interact. energy: 1.299
local terms energy: -250.989812
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -57.761
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -421.944362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.944362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.944362 (E_RNA)
where:
Base-Base interactions energy: -239.675
where: short stacking energy: -117.671
Base-Backbone interact. energy: -1.513
local terms energy: -180.756692
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -47.406
flat angles C4'-P-C4' energy: -46.602
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -235.816487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.816487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.816487 (E_RNA)
where:
Base-Base interactions energy: -95.613
where: short stacking energy: -88.111
Base-Backbone interact. energy: 1.058
local terms energy: -141.261285
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -36.971
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -965.694933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.694933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.694933 (E_RNA)
where:
Base-Base interactions energy: -676.785
where: short stacking energy: -287.155
Base-Backbone interact. energy: -0.784
local terms energy: -288.125567
where:
bonds (distance) C4'-P energy: -57.172
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -43.769
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: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -948.864623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.864623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.864623 (E_RNA)
where:
Base-Base interactions energy: -662.272
where: short stacking energy: -285.429
Base-Backbone interact. energy: -0.467
local terms energy: -286.125497
where:
bonds (distance) C4'-P energy: -50.023
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -83.669
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: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -885.485497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.485497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.485497 (E_RNA)
where:
Base-Base interactions energy: -610.296
where: short stacking energy: -269.104
Base-Backbone interact. energy: -0.149
local terms energy: -275.040280
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -39.396
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: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -843.648857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.648857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.648857 (E_RNA)
where:
Base-Base interactions energy: -593.459
where: short stacking energy: -270.781
Base-Backbone interact. energy: -0.291
local terms energy: -249.899169
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -71.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -824.023418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.023418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.023418 (E_RNA)
where:
Base-Base interactions energy: -568.744
where: short stacking energy: -255.243
Base-Backbone interact. energy: -0.311
local terms energy: -254.968017
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -53.792
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -70.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -813.869711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.869711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.869711 (E_RNA)
where:
Base-Base interactions energy: -539.090
where: short stacking energy: -236.818
Base-Backbone interact. energy: 0.040
local terms energy: -274.819070
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -59.922
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -70.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -787.433954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.433954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.433954 (E_RNA)
where:
Base-Base interactions energy: -557.853
where: short stacking energy: -239.130
Base-Backbone interact. energy: 0.268
local terms energy: -229.848641
where:
bonds (distance) C4'-P energy: -43.651
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -69.567
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: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -727.844410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.844410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.844410 (E_RNA)
where:
Base-Base interactions energy: -487.517
where: short stacking energy: -203.633
Base-Backbone interact. energy: -1.350
local terms energy: -238.976916
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -48.217
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -56.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -421.516669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.516669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.516669 (E_RNA)
where:
Base-Base interactions energy: -252.114
where: short stacking energy: -132.636
Base-Backbone interact. energy: -0.503
local terms energy: -168.899767
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -248.454454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.454454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.454454 (E_RNA)
where:
Base-Base interactions energy: -97.427
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.582
local terms energy: -150.446177
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: 12.805
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: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -965.091704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.091704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.091704 (E_RNA)
where:
Base-Base interactions energy: -674.311
where: short stacking energy: -291.848
Base-Backbone interact. energy: -1.292
local terms energy: -289.489239
where:
bonds (distance) C4'-P energy: -48.948
bonds (distance) P-C4' energy: -51.017
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -82.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -958.036990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.036990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.036990 (E_RNA)
where:
Base-Base interactions energy: -686.513
where: short stacking energy: -287.660
Base-Backbone interact. energy: -1.553
local terms energy: -269.971184
where:
bonds (distance) C4'-P energy: -46.557
bonds (distance) P-C4' energy: -50.610
flat angles C4'-P-C4' energy: -52.394
flat angles P-C4'-P energy: -41.132
tors. eta vs tors. theta energy: -79.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -867.463595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.463595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.463595 (E_RNA)
where:
Base-Base interactions energy: -597.779
where: short stacking energy: -271.860
Base-Backbone interact. energy: -0.681
local terms energy: -269.003323
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -43.458
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -44.345
tors. eta vs tors. theta energy: -75.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -825.657028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.657028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.657028 (E_RNA)
where:
Base-Base interactions energy: -555.306
where: short stacking energy: -239.055
Base-Backbone interact. energy: 0.377
local terms energy: -270.728257
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -53.730
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -65.501
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: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -817.989262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.989262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.989262 (E_RNA)
where:
Base-Base interactions energy: -554.442
where: short stacking energy: -244.817
Base-Backbone interact. energy: 0.035
local terms energy: -263.582144
where:
bonds (distance) C4'-P energy: -45.894
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -67.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -811.246599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.246599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.246599 (E_RNA)
where:
Base-Base interactions energy: -549.127
where: short stacking energy: -229.658
Base-Backbone interact. energy: -1.239
local terms energy: -260.880563
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -785.850044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.850044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.850044 (E_RNA)
where:
Base-Base interactions energy: -551.261
where: short stacking energy: -234.922
Base-Backbone interact. energy: -0.124
local terms energy: -234.465507
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -46.829
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: -72.459
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: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -731.018281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.018281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.018281 (E_RNA)
where:
Base-Base interactions energy: -497.892
where: short stacking energy: -217.084
Base-Backbone interact. energy: 2.596
local terms energy: -235.722116
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -50.035
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -60.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -405.293563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.293563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.293563 (E_RNA)
where:
Base-Base interactions energy: -238.390
where: short stacking energy: -120.559
Base-Backbone interact. energy: -0.954
local terms energy: -165.949864
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -42.378
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -20.948
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: 197
Temperature: 1.350000
Total energy: -278.498309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.498309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.498309 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -95.205
Base-Backbone interact. energy: -1.320
local terms energy: -133.640461
where:
bonds (distance) C4'-P energy: -45.494
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -14.120
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: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -975.029961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.029961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.029961 (E_RNA)
where:
Base-Base interactions energy: -666.101
where: short stacking energy: -288.175
Base-Backbone interact. energy: -0.681
local terms energy: -308.247719
where:
bonds (distance) C4'-P energy: -57.517
bonds (distance) P-C4' energy: -52.443
flat angles C4'-P-C4' energy: -66.199
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -91.314
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: 198
Temperature: 0.950000
Total energy: -952.479287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.479287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.479287 (E_RNA)
where:
Base-Base interactions energy: -667.936
where: short stacking energy: -281.120
Base-Backbone interact. energy: -0.809
local terms energy: -283.734776
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -59.949
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -85.387
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: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -875.392437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.392437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.392437 (E_RNA)
where:
Base-Base interactions energy: -605.130
where: short stacking energy: -259.689
Base-Backbone interact. energy: -0.669
local terms energy: -269.593087
where:
bonds (distance) C4'-P energy: -44.159
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -78.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -827.830238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.830238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.830238 (E_RNA)
where:
Base-Base interactions energy: -575.930
where: short stacking energy: -239.498
Base-Backbone interact. energy: -0.112
local terms energy: -251.788790
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -28.828
tors. eta vs tors. theta energy: -64.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -829.298531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.298531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.298531 (E_RNA)
where:
Base-Base interactions energy: -562.139
where: short stacking energy: -247.338
Base-Backbone interact. energy: -0.456
local terms energy: -266.703900
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -69.146
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -786.394384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.394384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.394384 (E_RNA)
where:
Base-Base interactions energy: -531.305
where: short stacking energy: -223.560
Base-Backbone interact. energy: -0.358
local terms energy: -254.730535
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -56.381
flat angles P-C4'-P energy: -43.995
tors. eta vs tors. theta energy: -60.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -760.429555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.429555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.429555 (E_RNA)
where:
Base-Base interactions energy: -540.070
where: short stacking energy: -232.293
Base-Backbone interact. energy: 0.385
local terms energy: -220.744664
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -52.972
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -59.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -704.292308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.292308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.292308 (E_RNA)
where:
Base-Base interactions energy: -495.409
where: short stacking energy: -200.539
Base-Backbone interact. energy: -0.640
local terms energy: -208.243051
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -36.034
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -411.562287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.562287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.562287 (E_RNA)
where:
Base-Base interactions energy: -240.500
where: short stacking energy: -122.492
Base-Backbone interact. energy: -0.475
local terms energy: -170.587212
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -45.203
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -239.323617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.323617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.323617 (E_RNA)
where:
Base-Base interactions energy: -100.292
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.882
local terms energy: -138.149916
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -960.665490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.665490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.665490 (E_RNA)
where:
Base-Base interactions energy: -681.541
where: short stacking energy: -294.905
Base-Backbone interact. energy: -0.474
local terms energy: -278.650148
where:
bonds (distance) C4'-P energy: -40.679
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -89.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -933.813136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.813136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.813136 (E_RNA)
where:
Base-Base interactions energy: -636.489
where: short stacking energy: -275.928
Base-Backbone interact. energy: 0.229
local terms energy: -297.553085
where:
bonds (distance) C4'-P energy: -57.373
bonds (distance) P-C4' energy: -46.305
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -49.590
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -875.474795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.474795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.474795 (E_RNA)
where:
Base-Base interactions energy: -595.140
where: short stacking energy: -261.419
Base-Backbone interact. energy: -0.476
local terms energy: -279.859572
where:
bonds (distance) C4'-P energy: -56.484
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -62.668
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -72.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -844.831979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.831979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.831979 (E_RNA)
where:
Base-Base interactions energy: -580.365
where: short stacking energy: -247.390
Base-Backbone interact. energy: 1.436
local terms energy: -265.903216
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -55.176
flat angles C4'-P-C4' energy: -50.228
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: -68.980
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: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -816.586513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.586513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.586513 (E_RNA)
where:
Base-Base interactions energy: -582.050
where: short stacking energy: -251.119
Base-Backbone interact. energy: -0.581
local terms energy: -233.956150
where:
bonds (distance) C4'-P energy: -51.766
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -767.712052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.712052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.712052 (E_RNA)
where:
Base-Base interactions energy: -533.080
where: short stacking energy: -211.925
Base-Backbone interact. energy: -0.031
local terms energy: -234.601132
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -54.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -777.377029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.377029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.377029 (E_RNA)
where:
Base-Base interactions energy: -526.931
where: short stacking energy: -226.719
Base-Backbone interact. energy: -1.573
local terms energy: -248.873257
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -54.061
flat angles P-C4'-P energy: -37.576
tors. eta vs tors. theta energy: -61.010
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: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -732.964566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.964566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.964566 (E_RNA)
where:
Base-Base interactions energy: -508.882
where: short stacking energy: -216.386
Base-Backbone interact. energy: -0.230
local terms energy: -223.852604
where:
bonds (distance) C4'-P energy: -40.612
bonds (distance) P-C4' energy: -44.701
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -58.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -445.767339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.767339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.767339 (E_RNA)
where:
Base-Base interactions energy: -261.094
where: short stacking energy: -128.999
Base-Backbone interact. energy: -0.085
local terms energy: -184.588368
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -37.985
flat angles C4'-P-C4' energy: -45.326
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -256.587096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.587096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.587096 (E_RNA)
where:
Base-Base interactions energy: -105.770
where: short stacking energy: -77.849
Base-Backbone interact. energy: -1.348
local terms energy: -149.468755
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -969.827950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.827950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.827950 (E_RNA)
where:
Base-Base interactions energy: -666.778
where: short stacking energy: -289.634
Base-Backbone interact. energy: 0.169
local terms energy: -303.218596
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -55.828
flat angles C4'-P-C4' energy: -59.845
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -88.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -962.538384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.538384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.538384 (E_RNA)
where:
Base-Base interactions energy: -656.815
where: short stacking energy: -276.546
Base-Backbone interact. energy: -1.660
local terms energy: -304.064299
where:
bonds (distance) C4'-P energy: -49.962
bonds (distance) P-C4' energy: -60.234
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -88.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -884.072563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.072563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.072563 (E_RNA)
where:
Base-Base interactions energy: -589.380
where: short stacking energy: -259.866
Base-Backbone interact. energy: -0.651
local terms energy: -294.041922
where:
bonds (distance) C4'-P energy: -55.497
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -80.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -826.710191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.710191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.710191 (E_RNA)
where:
Base-Base interactions energy: -558.055
where: short stacking energy: -223.286
Base-Backbone interact. energy: -0.929
local terms energy: -267.726773
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -66.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -833.610877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.610877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.610877 (E_RNA)
where:
Base-Base interactions energy: -593.416
where: short stacking energy: -258.251
Base-Backbone interact. energy: 0.415
local terms energy: -240.610524
where:
bonds (distance) C4'-P energy: -45.278
bonds (distance) P-C4' energy: -39.954
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -65.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -772.421408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.421408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.421408 (E_RNA)
where:
Base-Base interactions energy: -549.175
where: short stacking energy: -222.511
Base-Backbone interact. energy: 0.767
local terms energy: -224.013647
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -54.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -786.641788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.641788 (E_RNA)
where:
Base-Base interactions energy: -550.822
where: short stacking energy: -237.708
Base-Backbone interact. energy: -0.416
local terms energy: -235.404186
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -52.152
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -66.039
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: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -704.127542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.127542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.127542 (E_RNA)
where:
Base-Base interactions energy: -482.621
where: short stacking energy: -210.380
Base-Backbone interact. energy: 0.095
local terms energy: -221.601899
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -47.125
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: 200
Temperature: 1.300000
Total energy: -405.975189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.975189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.975189 (E_RNA)
where:
Base-Base interactions energy: -233.195
where: short stacking energy: -119.780
Base-Backbone interact. energy: 2.117
local terms energy: -174.897607
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -54.200
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -222.349514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.349514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.349514 (E_RNA)
where:
Base-Base interactions energy: -68.026
where: short stacking energy: -64.343
Base-Backbone interact. energy: 1.931
local terms energy: -156.254776
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -41.293
flat angles C4'-P-C4' energy: -45.358
flat angles P-C4'-P energy: -19.709
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: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -966.009371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.009371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.009371 (E_RNA)
where:
Base-Base interactions energy: -662.496
where: short stacking energy: -287.856
Base-Backbone interact. energy: 0.817
local terms energy: -304.331119
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -41.502
tors. eta vs tors. theta energy: -94.985
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: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -924.369325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.369325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.369325 (E_RNA)
where:
Base-Base interactions energy: -643.410
where: short stacking energy: -286.404
Base-Backbone interact. energy: -1.366
local terms energy: -279.593344
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -57.340
flat angles P-C4'-P energy: -46.628
tors. eta vs tors. theta energy: -85.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -862.408791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.408791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.408791 (E_RNA)
where:
Base-Base interactions energy: -600.850
where: short stacking energy: -266.169
Base-Backbone interact. energy: -1.323
local terms energy: -260.235656
where:
bonds (distance) C4'-P energy: -39.521
bonds (distance) P-C4' energy: -54.575
flat angles C4'-P-C4' energy: -62.172
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -74.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -837.492594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.492594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.492594 (E_RNA)
where:
Base-Base interactions energy: -585.525
where: short stacking energy: -241.569
Base-Backbone interact. energy: 0.027
local terms energy: -251.995034
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -60.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -806.018280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.018280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.018280 (E_RNA)
where:
Base-Base interactions energy: -554.916
where: short stacking energy: -245.718
Base-Backbone interact. energy: -0.089
local terms energy: -251.013732
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -38.709
tors. eta vs tors. theta energy: -71.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -812.345544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.345544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.345544 (E_RNA)
where:
Base-Base interactions energy: -571.231
where: short stacking energy: -233.886
Base-Backbone interact. energy: 0.487
local terms energy: -241.600799
where:
bonds (distance) C4'-P energy: -54.554
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -43.378
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: -65.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -775.863261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.863261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.863261 (E_RNA)
where:
Base-Base interactions energy: -537.742
where: short stacking energy: -230.458
Base-Backbone interact. energy: -0.744
local terms energy: -237.377689
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -48.304
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -63.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -728.993960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.993960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.993960 (E_RNA)
where:
Base-Base interactions energy: -515.471
where: short stacking energy: -215.768
Base-Backbone interact. energy: -1.000
local terms energy: -212.522137
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -32.117
tors. eta vs tors. theta energy: -56.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -419.590592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.590592 (E_RNA)
where:
Base-Base interactions energy: -237.285
where: short stacking energy: -110.616
Base-Backbone interact. energy: -1.529
local terms energy: -180.776651
where:
bonds (distance) C4'-P energy: -34.831
bonds (distance) P-C4' energy: -43.660
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -37.422
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -203.612861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.612861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612861 (E_RNA)
where:
Base-Base interactions energy: -67.256
where: short stacking energy: -63.127
Base-Backbone interact. energy: -1.613
local terms energy: -134.743746
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: 6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -975.602423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.602423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.602423 (E_RNA)
where:
Base-Base interactions energy: -678.943
where: short stacking energy: -302.269
Base-Backbone interact. energy: -1.267
local terms energy: -295.391935
where:
bonds (distance) C4'-P energy: -47.229
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -91.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -951.397224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.397224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.397224 (E_RNA)
where:
Base-Base interactions energy: -659.464
where: short stacking energy: -296.390
Base-Backbone interact. energy: -1.129
local terms energy: -290.805014
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -87.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -858.853649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.853649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.853649 (E_RNA)
where:
Base-Base interactions energy: -597.670
where: short stacking energy: -252.377
Base-Backbone interact. energy: 0.521
local terms energy: -261.705059
where:
bonds (distance) C4'-P energy: -45.194
bonds (distance) P-C4' energy: -47.231
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: -62.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -834.020821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.020821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.020821 (E_RNA)
where:
Base-Base interactions energy: -583.008
where: short stacking energy: -256.272
Base-Backbone interact. energy: 0.261
local terms energy: -251.273521
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -72.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -840.550984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.550984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.550984 (E_RNA)
where:
Base-Base interactions energy: -590.478
where: short stacking energy: -247.312
Base-Backbone interact. energy: -0.627
local terms energy: -249.446351
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -55.419
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -72.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -807.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.580815 (E_RNA)
where:
Base-Base interactions energy: -556.121
where: short stacking energy: -231.323
Base-Backbone interact. energy: -0.639
local terms energy: -250.821219
where:
bonds (distance) C4'-P energy: -53.301
bonds (distance) P-C4' energy: -52.356
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -34.270
tors. eta vs tors. theta energy: -67.337
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: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -784.285495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.285495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.285495 (E_RNA)
where:
Base-Base interactions energy: -541.512
where: short stacking energy: -236.108
Base-Backbone interact. energy: -0.178
local terms energy: -242.595697
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -49.941
flat angles C4'-P-C4' energy: -55.322
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: -62.894
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: 202
Temperature: 1.250000
Total energy: -705.007100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.007100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.007100 (E_RNA)
where:
Base-Base interactions energy: -493.058
where: short stacking energy: -207.787
Base-Backbone interact. energy: -0.568
local terms energy: -211.380856
where:
bonds (distance) C4'-P energy: -42.432
bonds (distance) P-C4' energy: -47.310
flat angles C4'-P-C4' energy: -43.176
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -50.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -441.209717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.209717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.209717 (E_RNA)
where:
Base-Base interactions energy: -259.716
where: short stacking energy: -117.613
Base-Backbone interact. energy: 1.145
local terms energy: -182.638700
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -59.115
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -217.704577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.704577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.704577 (E_RNA)
where:
Base-Base interactions energy: -64.891
where: short stacking energy: -46.884
Base-Backbone interact. energy: 1.546
local terms energy: -154.359576
where:
bonds (distance) C4'-P energy: -49.640
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: 11.124
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: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -964.728036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.728036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.728036 (E_RNA)
where:
Base-Base interactions energy: -677.488
where: short stacking energy: -289.617
Base-Backbone interact. energy: -0.697
local terms energy: -286.543842
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -60.967
flat angles P-C4'-P energy: -44.153
tors. eta vs tors. theta energy: -86.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -954.389046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.389046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.389046 (E_RNA)
where:
Base-Base interactions energy: -651.716
where: short stacking energy: -286.207
Base-Backbone interact. energy: -1.453
local terms energy: -301.220024
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -65.438
flat angles P-C4'-P energy: -44.875
tors. eta vs tors. theta energy: -87.706
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: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -867.361155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.361155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.361155 (E_RNA)
where:
Base-Base interactions energy: -599.802
where: short stacking energy: -249.534
Base-Backbone interact. energy: -0.924
local terms energy: -266.635856
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -50.171
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -69.061
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: 203
Temperature: 1.050000
Total energy: -833.015516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.015516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.015516 (E_RNA)
where:
Base-Base interactions energy: -561.812
where: short stacking energy: -241.650
Base-Backbone interact. energy: -0.596
local terms energy: -270.607774
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -72.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -832.181164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.181164 (E_RNA)
where:
Base-Base interactions energy: -577.856
where: short stacking energy: -266.552
Base-Backbone interact. energy: 1.131
local terms energy: -255.455456
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -64.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -802.616261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.616261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.616261 (E_RNA)
where:
Base-Base interactions energy: -558.431
where: short stacking energy: -240.569
Base-Backbone interact. energy: -0.285
local terms energy: -243.900229
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -68.728
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: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -776.876696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.876696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.876696 (E_RNA)
where:
Base-Base interactions energy: -534.962
where: short stacking energy: -229.044
Base-Backbone interact. energy: 1.681
local terms energy: -243.594971
where:
bonds (distance) C4'-P energy: -50.825
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -50.382
flat angles P-C4'-P energy: -34.139
tors. eta vs tors. theta energy: -64.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -726.342483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.342483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.342483 (E_RNA)
where:
Base-Base interactions energy: -502.240
where: short stacking energy: -213.431
Base-Backbone interact. energy: -0.402
local terms energy: -223.700965
where:
bonds (distance) C4'-P energy: -34.526
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -412.679395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.679395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.679395 (E_RNA)
where:
Base-Base interactions energy: -230.427
where: short stacking energy: -108.502
Base-Backbone interact. energy: -0.697
local terms energy: -181.555653
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -209.061933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.061933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.061933 (E_RNA)
where:
Base-Base interactions energy: -50.753
where: short stacking energy: -49.929
Base-Backbone interact. energy: 0.399
local terms energy: -158.708010
where:
bonds (distance) C4'-P energy: -47.176
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -33.286
tors. eta vs tors. theta energy: 11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -964.966087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.966087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.966087 (E_RNA)
where:
Base-Base interactions energy: -655.471
where: short stacking energy: -296.119
Base-Backbone interact. energy: -0.957
local terms energy: -308.538593
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -54.774
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -93.695
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: 204
Temperature: 0.950000
Total energy: -949.692382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.692382 (E_RNA)
where:
Base-Base interactions energy: -662.741
where: short stacking energy: -286.893
Base-Backbone interact. energy: -1.263
local terms energy: -285.689223
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -86.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -890.430047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.430047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.430047 (E_RNA)
where:
Base-Base interactions energy: -604.444
where: short stacking energy: -274.556
Base-Backbone interact. energy: -0.959
local terms energy: -285.027383
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -47.172
tors. eta vs tors. theta energy: -78.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -841.882468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.882468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.882468 (E_RNA)
where:
Base-Base interactions energy: -582.365
where: short stacking energy: -255.624
Base-Backbone interact. energy: -0.852
local terms energy: -258.665780
where:
bonds (distance) C4'-P energy: -41.908
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: -72.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -823.784577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.784577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.784577 (E_RNA)
where:
Base-Base interactions energy: -559.787
where: short stacking energy: -238.359
Base-Backbone interact. energy: -0.680
local terms energy: -263.317857
where:
bonds (distance) C4'-P energy: -45.517
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -71.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -814.740112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.740112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.740112 (E_RNA)
where:
Base-Base interactions energy: -558.910
where: short stacking energy: -248.980
Base-Backbone interact. energy: -1.315
local terms energy: -254.515710
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -51.687
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -31.990
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: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -734.106389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.106389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.106389 (E_RNA)
where:
Base-Base interactions energy: -498.861
where: short stacking energy: -210.019
Base-Backbone interact. energy: -0.549
local terms energy: -234.696460
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -49.332
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -62.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -720.164445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.164445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.164445 (E_RNA)
where:
Base-Base interactions energy: -509.899
where: short stacking energy: -215.101
Base-Backbone interact. energy: -0.421
local terms energy: -209.843648
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -49.724
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -47.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -447.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.448673 (E_RNA)
where:
Base-Base interactions energy: -248.719
where: short stacking energy: -134.256
Base-Backbone interact. energy: -0.446
local terms energy: -198.283439
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -25.629
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: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -232.457927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.457927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457927 (E_RNA)
where:
Base-Base interactions energy: -79.858
where: short stacking energy: -39.965
Base-Backbone interact. energy: 2.698
local terms energy: -155.297520
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -51.309
flat angles C4'-P-C4' energy: -37.956
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: 2.830
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: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -952.812725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.812725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.812725 (E_RNA)
where:
Base-Base interactions energy: -665.996
where: short stacking energy: -268.713
Base-Backbone interact. energy: 0.299
local terms energy: -287.115608
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -78.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -898.046256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.046256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.046256 (E_RNA)
where:
Base-Base interactions energy: -622.055
where: short stacking energy: -268.651
Base-Backbone interact. energy: 0.063
local terms energy: -276.053466
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -49.941
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -80.601
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: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -915.162487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.162487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.162487 (E_RNA)
where:
Base-Base interactions energy: -637.667
where: short stacking energy: -281.542
Base-Backbone interact. energy: -0.937
local terms energy: -276.557843
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -87.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -838.100872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.100872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.100872 (E_RNA)
where:
Base-Base interactions energy: -565.780
where: short stacking energy: -259.907
Base-Backbone interact. energy: 0.684
local terms energy: -273.004914
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -79.063
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: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -836.617350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.617350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.617350 (E_RNA)
where:
Base-Base interactions energy: -573.659
where: short stacking energy: -254.231
Base-Backbone interact. energy: -0.304
local terms energy: -262.654214
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -75.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -784.178579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.178579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.178579 (E_RNA)
where:
Base-Base interactions energy: -533.894
where: short stacking energy: -230.627
Base-Backbone interact. energy: 1.137
local terms energy: -251.421975
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -72.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -720.219555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.219555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.219555 (E_RNA)
where:
Base-Base interactions energy: -494.534
where: short stacking energy: -212.695
Base-Backbone interact. energy: -0.368
local terms energy: -225.317756
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -30.269
tors. eta vs tors. theta energy: -57.994
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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -706.106452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.106452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.106452 (E_RNA)
where:
Base-Base interactions energy: -479.424
where: short stacking energy: -202.994
Base-Backbone interact. energy: -0.399
local terms energy: -226.282941
where:
bonds (distance) C4'-P energy: -50.209
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -54.462
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: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -410.433634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.433634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.433634 (E_RNA)
where:
Base-Base interactions energy: -235.967
where: short stacking energy: -117.527
Base-Backbone interact. energy: -0.562
local terms energy: -173.904205
where:
bonds (distance) C4'-P energy: -46.430
bonds (distance) P-C4' energy: -51.289
flat angles C4'-P-C4' energy: -41.256
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -233.516935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.516935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.516935 (E_RNA)
where:
Base-Base interactions energy: -82.594
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.283
local terms energy: -150.639339
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -41.412
flat angles C4'-P-C4' energy: -48.389
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: 7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -933.310296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.310296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.310296 (E_RNA)
where:
Base-Base interactions energy: -647.666
where: short stacking energy: -284.368
Base-Backbone interact. energy: 0.601
local terms energy: -286.245685
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -50.648
flat angles C4'-P-C4' energy: -66.598
flat angles P-C4'-P energy: -44.350
tors. eta vs tors. theta energy: -79.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -952.538850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.538850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.538850 (E_RNA)
where:
Base-Base interactions energy: -666.920
where: short stacking energy: -282.911
Base-Backbone interact. energy: -0.752
local terms energy: -284.866845
where:
bonds (distance) C4'-P energy: -49.297
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -85.564
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: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -911.871509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.871509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.871509 (E_RNA)
where:
Base-Base interactions energy: -628.027
where: short stacking energy: -277.880
Base-Backbone interact. energy: 0.161
local terms energy: -284.005815
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -37.955
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: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -857.210859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.210859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.210859 (E_RNA)
where:
Base-Base interactions energy: -590.172
where: short stacking energy: -261.986
Base-Backbone interact. energy: 1.928
local terms energy: -268.967425
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -38.074
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: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -829.890551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.890551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.890551 (E_RNA)
where:
Base-Base interactions energy: -577.729
where: short stacking energy: -250.920
Base-Backbone interact. energy: 3.000
local terms energy: -255.161736
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -57.920
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -72.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -799.909736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.909736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.909736 (E_RNA)
where:
Base-Base interactions energy: -556.692
where: short stacking energy: -221.390
Base-Backbone interact. energy: -0.686
local terms energy: -242.531492
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -50.407
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -53.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -693.411209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.411209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.411209 (E_RNA)
where:
Base-Base interactions energy: -461.566
where: short stacking energy: -201.608
Base-Backbone interact. energy: 1.414
local terms energy: -233.258875
where:
bonds (distance) C4'-P energy: -50.639
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -56.043
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -57.167
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: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -671.916713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.916713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.916713 (E_RNA)
where:
Base-Base interactions energy: -445.795
where: short stacking energy: -192.286
Base-Backbone interact. energy: -0.038
local terms energy: -226.083288
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -57.730
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -386.993373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.993373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.993373 (E_RNA)
where:
Base-Base interactions energy: -227.977
where: short stacking energy: -118.531
Base-Backbone interact. energy: -1.180
local terms energy: -157.836661
where:
bonds (distance) C4'-P energy: -37.509
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -44.481
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -227.181089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.181089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.181089 (E_RNA)
where:
Base-Base interactions energy: -77.639
where: short stacking energy: -45.743
Base-Backbone interact. energy: -2.473
local terms energy: -147.069193
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -53.467
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: 10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -916.838881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.838881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.838881 (E_RNA)
where:
Base-Base interactions energy: -625.981
where: short stacking energy: -284.781
Base-Backbone interact. energy: -0.284
local terms energy: -290.574565
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -58.250
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -943.835252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.835252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.835252 (E_RNA)
where:
Base-Base interactions energy: -653.912
where: short stacking energy: -274.949
Base-Backbone interact. energy: -0.700
local terms energy: -289.223164
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -62.794
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -85.758
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: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -929.910432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.910432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.910432 (E_RNA)
where:
Base-Base interactions energy: -640.673
where: short stacking energy: -274.389
Base-Backbone interact. energy: -2.955
local terms energy: -286.282993
where:
bonds (distance) C4'-P energy: -51.009
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -62.102
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -79.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -840.743820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.743820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.743820 (E_RNA)
where:
Base-Base interactions energy: -598.418
where: short stacking energy: -260.441
Base-Backbone interact. energy: -0.759
local terms energy: -241.566604
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -59.683
flat angles C4'-P-C4' energy: -52.349
flat angles P-C4'-P energy: -33.578
tors. eta vs tors. theta energy: -61.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -808.710382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.710382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.710382 (E_RNA)
where:
Base-Base interactions energy: -562.217
where: short stacking energy: -240.644
Base-Backbone interact. energy: -0.896
local terms energy: -245.596914
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -66.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -809.487502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.487502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.487502 (E_RNA)
where:
Base-Base interactions energy: -563.678
where: short stacking energy: -251.381
Base-Backbone interact. energy: -0.450
local terms energy: -245.359606
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -46.334
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -74.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -691.891607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.891607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.891607 (E_RNA)
where:
Base-Base interactions energy: -463.506
where: short stacking energy: -209.012
Base-Backbone interact. energy: -0.784
local terms energy: -227.601698
where:
bonds (distance) C4'-P energy: -43.162
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -37.487
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: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -759.193928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.193928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.193928 (E_RNA)
where:
Base-Base interactions energy: -511.230
where: short stacking energy: -223.500
Base-Backbone interact. energy: -3.600
local terms energy: -244.363317
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -65.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -403.796007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.796007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.796007 (E_RNA)
where:
Base-Base interactions energy: -226.719
where: short stacking energy: -105.375
Base-Backbone interact. energy: -0.242
local terms energy: -176.835628
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -46.710
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -8.855
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: 207
Temperature: 1.350000
Total energy: -218.341923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.341923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.341923 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -76.610
Base-Backbone interact. energy: 0.117
local terms energy: -127.494486
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: 6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -959.963210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.963210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.963210 (E_RNA)
where:
Base-Base interactions energy: -649.444
where: short stacking energy: -281.608
Base-Backbone interact. energy: -0.525
local terms energy: -309.994094
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -84.467
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -896.971178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.971178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.971178 (E_RNA)
where:
Base-Base interactions energy: -617.046
where: short stacking energy: -275.134
Base-Backbone interact. energy: 1.000
local terms energy: -280.925480
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -61.661
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -77.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -943.750236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.750236 (E_RNA)
where:
Base-Base interactions energy: -673.271
where: short stacking energy: -272.163
Base-Backbone interact. energy: -0.648
local terms energy: -269.831234
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -46.453
flat angles C4'-P-C4' energy: -58.703
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -84.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -853.176474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.176474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.176474 (E_RNA)
where:
Base-Base interactions energy: -597.397
where: short stacking energy: -257.732
Base-Backbone interact. energy: -0.154
local terms energy: -255.625498
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -46.708
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -69.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -819.711599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.711599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.711599 (E_RNA)
where:
Base-Base interactions energy: -550.688
where: short stacking energy: -235.710
Base-Backbone interact. energy: -1.162
local terms energy: -267.861091
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -57.854
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -33.168
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -803.480355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.480355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.480355 (E_RNA)
where:
Base-Base interactions energy: -549.320
where: short stacking energy: -237.503
Base-Backbone interact. energy: -1.324
local terms energy: -252.836314
where:
bonds (distance) C4'-P energy: -46.738
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -46.893
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -70.467
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: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -740.607795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.607795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.607795 (E_RNA)
where:
Base-Base interactions energy: -509.455
where: short stacking energy: -215.770
Base-Backbone interact. energy: -0.178
local terms energy: -230.975615
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -44.153
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -61.587
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: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -700.529569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.529569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.529569 (E_RNA)
where:
Base-Base interactions energy: -471.403
where: short stacking energy: -209.291
Base-Backbone interact. energy: -0.529
local terms energy: -228.597224
where:
bonds (distance) C4'-P energy: -41.515
bonds (distance) P-C4' energy: -46.066
flat angles C4'-P-C4' energy: -50.873
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -56.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -436.615801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.615801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.615801 (E_RNA)
where:
Base-Base interactions energy: -254.752
where: short stacking energy: -129.531
Base-Backbone interact. energy: -1.058
local terms energy: -180.805901
where:
bonds (distance) C4'-P energy: -37.192
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -27.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -209.781594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.781594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.781594 (E_RNA)
where:
Base-Base interactions energy: -64.328
where: short stacking energy: -57.353
Base-Backbone interact. energy: 4.391
local terms energy: -149.843652
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: 3.188
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: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -959.080454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.080454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.080454 (E_RNA)
where:
Base-Base interactions energy: -666.490
where: short stacking energy: -293.268
Base-Backbone interact. energy: -1.042
local terms energy: -291.548233
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -48.078
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -86.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -949.361363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.361363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.361363 (E_RNA)
where:
Base-Base interactions energy: -655.889
where: short stacking energy: -272.727
Base-Backbone interact. energy: -0.888
local terms energy: -292.584040
where:
bonds (distance) C4'-P energy: -55.251
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -60.955
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -77.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -897.670526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.670526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.670526 (E_RNA)
where:
Base-Base interactions energy: -609.115
where: short stacking energy: -266.144
Base-Backbone interact. energy: -0.694
local terms energy: -287.861355
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -58.581
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: -79.676
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: 209
Temperature: 1.050000
Total energy: -834.562994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.562994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.562994 (E_RNA)
where:
Base-Base interactions energy: -568.796
where: short stacking energy: -257.084
Base-Backbone interact. energy: -0.044
local terms energy: -265.722058
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -43.227
flat angles C4'-P-C4' energy: -59.604
flat angles P-C4'-P energy: -39.679
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: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -834.056224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.056224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.056224 (E_RNA)
where:
Base-Base interactions energy: -571.825
where: short stacking energy: -255.420
Base-Backbone interact. energy: -0.867
local terms energy: -261.363935
where:
bonds (distance) C4'-P energy: -47.752
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -59.745
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -76.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -775.783298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.783298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.783298 (E_RNA)
where:
Base-Base interactions energy: -540.985
where: short stacking energy: -244.398
Base-Backbone interact. energy: -0.664
local terms energy: -234.134243
where:
bonds (distance) C4'-P energy: -38.473
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -51.418
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -64.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -798.085966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.085966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.085966 (E_RNA)
where:
Base-Base interactions energy: -543.626
where: short stacking energy: -239.807
Base-Backbone interact. energy: -0.974
local terms energy: -253.485953
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -68.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -678.200025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.200025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.200025 (E_RNA)
where:
Base-Base interactions energy: -465.594
where: short stacking energy: -199.735
Base-Backbone interact. energy: 0.940
local terms energy: -213.545524
where:
bonds (distance) C4'-P energy: -41.598
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -53.069
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -437.973006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.973006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.973006 (E_RNA)
where:
Base-Base interactions energy: -257.650
where: short stacking energy: -128.842
Base-Backbone interact. energy: -1.314
local terms energy: -179.008419
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -18.179
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: -223.046773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.046773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.046773 (E_RNA)
where:
Base-Base interactions energy: -94.053
where: short stacking energy: -72.785
Base-Backbone interact. energy: -0.328
local terms energy: -128.665907
where:
bonds (distance) C4'-P energy: -43.065
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -982.631085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.631085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.631085 (E_RNA)
where:
Base-Base interactions energy: -674.148
where: short stacking energy: -305.018
Base-Backbone interact. energy: -0.615
local terms energy: -307.867337
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -56.801
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -92.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -939.492948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.492948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.492948 (E_RNA)
where:
Base-Base interactions energy: -648.981
where: short stacking energy: -286.014
Base-Backbone interact. energy: -0.592
local terms energy: -289.920042
where:
bonds (distance) C4'-P energy: -42.694
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -44.903
tors. eta vs tors. theta energy: -87.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -885.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.132652 (E_RNA)
where:
Base-Base interactions energy: -608.676
where: short stacking energy: -275.718
Base-Backbone interact. energy: -1.075
local terms energy: -275.381471
where:
bonds (distance) C4'-P energy: -51.119
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: -81.259
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: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -849.471210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.471210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.471210 (E_RNA)
where:
Base-Base interactions energy: -575.967
where: short stacking energy: -241.508
Base-Backbone interact. energy: -1.656
local terms energy: -271.847755
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -54.051
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -75.311
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -838.628103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.628103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.628103 (E_RNA)
where:
Base-Base interactions energy: -576.269
where: short stacking energy: -243.635
Base-Backbone interact. energy: -0.002
local terms energy: -262.356702
where:
bonds (distance) C4'-P energy: -50.451
bonds (distance) P-C4' energy: -41.166
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -74.026
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: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -748.553164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.553164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.553164 (E_RNA)
where:
Base-Base interactions energy: -519.808
where: short stacking energy: -221.063
Base-Backbone interact. energy: -0.718
local terms energy: -228.026398
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -46.248
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -60.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -764.629102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.629102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.629102 (E_RNA)
where:
Base-Base interactions energy: -543.153
where: short stacking energy: -218.701
Base-Backbone interact. energy: -0.719
local terms energy: -220.757135
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -51.619
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -60.357
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: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -664.656763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.656763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.656763 (E_RNA)
where:
Base-Base interactions energy: -437.961
where: short stacking energy: -190.301
Base-Backbone interact. energy: 0.546
local terms energy: -227.240851
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -56.202
flat angles C4'-P-C4' energy: -52.827
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -44.286
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: 210
Temperature: 1.300000
Total energy: -454.024050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.024050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.024050 (E_RNA)
where:
Base-Base interactions energy: -274.822
where: short stacking energy: -138.267
Base-Backbone interact. energy: 0.878
local terms energy: -180.080733
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -51.951
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -235.809590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.809590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.809590 (E_RNA)
where:
Base-Base interactions energy: -88.934
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.777
local terms energy: -146.098348
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -49.439
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: 7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -976.054563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.054563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.054563 (E_RNA)
where:
Base-Base interactions energy: -687.996
where: short stacking energy: -303.211
Base-Backbone interact. energy: -1.027
local terms energy: -287.030976
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -85.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -948.595085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.595085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.595085 (E_RNA)
where:
Base-Base interactions energy: -657.831
where: short stacking energy: -284.170
Base-Backbone interact. energy: 0.839
local terms energy: -291.602785
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -61.068
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -84.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -866.239771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.239771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.239771 (E_RNA)
where:
Base-Base interactions energy: -600.558
where: short stacking energy: -261.542
Base-Backbone interact. energy: 0.237
local terms energy: -265.918971
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -41.611
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: -74.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -856.416978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.416978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.416978 (E_RNA)
where:
Base-Base interactions energy: -585.547
where: short stacking energy: -253.542
Base-Backbone interact. energy: -0.953
local terms energy: -269.916710
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -55.060
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -69.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -809.975547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.975547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.975547 (E_RNA)
where:
Base-Base interactions energy: -546.110
where: short stacking energy: -244.277
Base-Backbone interact. energy: -1.345
local terms energy: -262.519898
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -45.680
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -72.988
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -757.905569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.905569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.905569 (E_RNA)
where:
Base-Base interactions energy: -508.861
where: short stacking energy: -212.842
Base-Backbone interact. energy: -1.041
local terms energy: -248.003211
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -48.232
flat angles P-C4'-P energy: -38.739
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -761.198861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.198861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.198861 (E_RNA)
where:
Base-Base interactions energy: -516.879
where: short stacking energy: -223.549
Base-Backbone interact. energy: -1.019
local terms energy: -243.300867
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -55.590
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -58.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -688.238196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.238196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.238196 (E_RNA)
where:
Base-Base interactions energy: -454.678
where: short stacking energy: -212.178
Base-Backbone interact. energy: -0.193
local terms energy: -233.367687
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -46.218
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -58.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -451.272312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.272312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.272312 (E_RNA)
where:
Base-Base interactions energy: -260.522
where: short stacking energy: -123.660
Base-Backbone interact. energy: -1.162
local terms energy: -189.588350
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -48.760
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -25.400
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: 211
Temperature: 1.350000
Total energy: -230.574584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.574584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.574584 (E_RNA)
where:
Base-Base interactions energy: -95.069
where: short stacking energy: -48.100
Base-Backbone interact. energy: 2.628
local terms energy: -138.133712
where:
bonds (distance) C4'-P energy: -38.901
bonds (distance) P-C4' energy: -40.642
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: 9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -966.944939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.944939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.944939 (E_RNA)
where:
Base-Base interactions energy: -666.685
where: short stacking energy: -293.530
Base-Backbone interact. energy: -1.483
local terms energy: -298.777498
where:
bonds (distance) C4'-P energy: -57.900
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -56.661
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -86.071
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: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -963.552738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.552738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.552738 (E_RNA)
where:
Base-Base interactions energy: -662.315
where: short stacking energy: -288.306
Base-Backbone interact. energy: -0.130
local terms energy: -301.107950
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -56.542
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -86.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -847.696279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.696279 (E_RNA)
where:
Base-Base interactions energy: -595.293
where: short stacking energy: -259.064
Base-Backbone interact. energy: 0.253
local terms energy: -252.656574
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -35.465
tors. eta vs tors. theta energy: -67.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -849.601208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.601208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.601208 (E_RNA)
where:
Base-Base interactions energy: -580.932
where: short stacking energy: -257.814
Base-Backbone interact. energy: -0.176
local terms energy: -268.493974
where:
bonds (distance) C4'-P energy: -48.586
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -73.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -808.735554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.735554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.735554 (E_RNA)
where:
Base-Base interactions energy: -563.554
where: short stacking energy: -238.632
Base-Backbone interact. energy: 0.421
local terms energy: -245.602252
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -70.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -773.046865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.046865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.046865 (E_RNA)
where:
Base-Base interactions energy: -519.550
where: short stacking energy: -231.129
Base-Backbone interact. energy: -0.486
local terms energy: -253.010122
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -56.475
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -69.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -797.326244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.326244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.326244 (E_RNA)
where:
Base-Base interactions energy: -548.287
where: short stacking energy: -249.269
Base-Backbone interact. energy: -1.206
local terms energy: -247.833494
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -70.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -649.110781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.110781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.110781 (E_RNA)
where:
Base-Base interactions energy: -447.268
where: short stacking energy: -191.150
Base-Backbone interact. energy: -2.274
local terms energy: -199.568460
where:
bonds (distance) C4'-P energy: -44.694
bonds (distance) P-C4' energy: -38.277
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -425.948444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.948444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.948444 (E_RNA)
where:
Base-Base interactions energy: -253.576
where: short stacking energy: -128.628
Base-Backbone interact. energy: 0.321
local terms energy: -172.692584
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -14.921
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -299.671754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.671754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.671754 (E_RNA)
where:
Base-Base interactions energy: -153.324
where: short stacking energy: -84.325
Base-Backbone interact. energy: 0.037
local terms energy: -146.385266
where:
bonds (distance) C4'-P energy: -37.582
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -30.153
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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -978.972325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.972325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.972325 (E_RNA)
where:
Base-Base interactions energy: -663.909
where: short stacking energy: -288.272
Base-Backbone interact. energy: -1.812
local terms energy: -313.251893
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -55.219
flat angles C4'-P-C4' energy: -62.583
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -84.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -952.352599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.352599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.352599 (E_RNA)
where:
Base-Base interactions energy: -646.710
where: short stacking energy: -287.610
Base-Backbone interact. energy: 0.810
local terms energy: -306.452067
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -880.204368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.204368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.204368 (E_RNA)
where:
Base-Base interactions energy: -621.652
where: short stacking energy: -259.686
Base-Backbone interact. energy: -0.227
local terms energy: -258.325063
where:
bonds (distance) C4'-P energy: -46.011
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -56.924
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -67.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -873.022777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.022777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.022777 (E_RNA)
where:
Base-Base interactions energy: -587.663
where: short stacking energy: -267.826
Base-Backbone interact. energy: -0.844
local terms energy: -284.515972
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -84.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -811.916926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.916926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.916926 (E_RNA)
where:
Base-Base interactions energy: -562.716
where: short stacking energy: -233.672
Base-Backbone interact. energy: 1.514
local terms energy: -250.714485
where:
bonds (distance) C4'-P energy: -49.607
bonds (distance) P-C4' energy: -44.533
flat angles C4'-P-C4' energy: -53.447
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -66.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -815.272879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.272879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.272879 (E_RNA)
where:
Base-Base interactions energy: -563.411
where: short stacking energy: -246.298
Base-Backbone interact. energy: -0.365
local terms energy: -251.497503
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -50.969
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -68.195
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: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -777.976490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.976490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.976490 (E_RNA)
where:
Base-Base interactions energy: -529.300
where: short stacking energy: -223.088
Base-Backbone interact. energy: -0.397
local terms energy: -248.279738
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -38.884
tors. eta vs tors. theta energy: -60.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -637.452034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.452034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.452034 (E_RNA)
where:
Base-Base interactions energy: -437.719
where: short stacking energy: -188.156
Base-Backbone interact. energy: -0.175
local terms energy: -199.557625
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -51.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -433.204301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.204301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.204301 (E_RNA)
where:
Base-Base interactions energy: -242.279
where: short stacking energy: -124.513
Base-Backbone interact. energy: 0.425
local terms energy: -191.350223
where:
bonds (distance) C4'-P energy: -42.833
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -47.785
flat angles P-C4'-P energy: -32.670
tors. eta vs tors. theta energy: -22.917
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: 213
Temperature: 1.350000
Total energy: -299.056037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.056037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.056037 (E_RNA)
where:
Base-Base interactions energy: -149.559
where: short stacking energy: -91.775
Base-Backbone interact. energy: 0.145
local terms energy: -149.642313
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -975.900709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.900709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.900709 (E_RNA)
where:
Base-Base interactions energy: -682.877
where: short stacking energy: -292.964
Base-Backbone interact. energy: 1.389
local terms energy: -294.412890
where:
bonds (distance) C4'-P energy: -52.430
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -943.897238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.897238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.897238 (E_RNA)
where:
Base-Base interactions energy: -645.420
where: short stacking energy: -273.361
Base-Backbone interact. energy: -0.884
local terms energy: -297.592501
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -61.725
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -90.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -878.542437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.542437 (E_RNA)
where:
Base-Base interactions energy: -595.383
where: short stacking energy: -271.589
Base-Backbone interact. energy: -0.273
local terms energy: -282.886115
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -80.097
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: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -857.374903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.374903 (E_RNA)
where:
Base-Base interactions energy: -601.107
where: short stacking energy: -269.962
Base-Backbone interact. energy: -0.550
local terms energy: -255.718224
where:
bonds (distance) C4'-P energy: -40.293
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -42.251
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -811.310785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.310785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.310785 (E_RNA)
where:
Base-Base interactions energy: -557.388
where: short stacking energy: -234.196
Base-Backbone interact. energy: -0.967
local terms energy: -252.955331
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -54.453
flat angles P-C4'-P energy: -32.242
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: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -792.332576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.332576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.332576 (E_RNA)
where:
Base-Base interactions energy: -540.003
where: short stacking energy: -229.713
Base-Backbone interact. energy: -0.071
local terms energy: -252.259158
where:
bonds (distance) C4'-P energy: -40.193
bonds (distance) P-C4' energy: -46.350
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -792.854204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.854204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.854204 (E_RNA)
where:
Base-Base interactions energy: -541.369
where: short stacking energy: -221.584
Base-Backbone interact. energy: -0.924
local terms energy: -250.561542
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -65.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -652.710366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.710366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.710366 (E_RNA)
where:
Base-Base interactions energy: -422.128
where: short stacking energy: -186.390
Base-Backbone interact. energy: -0.138
local terms energy: -230.444189
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -53.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -411.830329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.830329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.830329 (E_RNA)
where:
Base-Base interactions energy: -247.816
where: short stacking energy: -134.361
Base-Backbone interact. energy: -0.443
local terms energy: -163.571147
where:
bonds (distance) C4'-P energy: -39.764
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -221.866916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.866916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.866916 (E_RNA)
where:
Base-Base interactions energy: -90.202
where: short stacking energy: -76.594
Base-Backbone interact. energy: 0.338
local terms energy: -132.002569
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: 5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -972.521555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.521555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.521555 (E_RNA)
where:
Base-Base interactions energy: -672.578
where: short stacking energy: -301.537
Base-Backbone interact. energy: 0.115
local terms energy: -300.058456
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: -90.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -968.496163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.496163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.496163 (E_RNA)
where:
Base-Base interactions energy: -662.071
where: short stacking energy: -294.226
Base-Backbone interact. energy: 0.267
local terms energy: -306.692284
where:
bonds (distance) C4'-P energy: -60.469
bonds (distance) P-C4' energy: -53.194
flat angles C4'-P-C4' energy: -58.618
flat angles P-C4'-P energy: -46.554
tors. eta vs tors. theta energy: -87.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -877.851032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.851032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.851032 (E_RNA)
where:
Base-Base interactions energy: -608.550
where: short stacking energy: -266.280
Base-Backbone interact. energy: -0.471
local terms energy: -268.829923
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -51.759
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -79.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -839.403093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.403093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.403093 (E_RNA)
where:
Base-Base interactions energy: -565.802
where: short stacking energy: -256.566
Base-Backbone interact. energy: -0.349
local terms energy: -273.252079
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -55.727
flat angles C4'-P-C4' energy: -60.608
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -76.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -807.192954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.192954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.192954 (E_RNA)
where:
Base-Base interactions energy: -568.267
where: short stacking energy: -237.803
Base-Backbone interact. energy: 0.191
local terms energy: -239.116573
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -64.700
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: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -783.195649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.195649 (E_RNA)
where:
Base-Base interactions energy: -534.083
where: short stacking energy: -226.957
Base-Backbone interact. energy: -0.439
local terms energy: -248.673752
where:
bonds (distance) C4'-P energy: -51.995
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -64.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -784.333076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.333076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.333076 (E_RNA)
where:
Base-Base interactions energy: -541.346
where: short stacking energy: -233.188
Base-Backbone interact. energy: -1.380
local terms energy: -241.606376
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -47.725
flat angles C4'-P-C4' energy: -47.216
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -61.834
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -660.927002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.927002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.927002 (E_RNA)
where:
Base-Base interactions energy: -429.266
where: short stacking energy: -185.228
Base-Backbone interact. energy: -0.524
local terms energy: -231.137406
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -50.095
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -42.768
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: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -462.654550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.654550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.654550 (E_RNA)
where:
Base-Base interactions energy: -278.975
where: short stacking energy: -135.035
Base-Backbone interact. energy: 1.471
local terms energy: -185.150781
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -33.444
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -233.973914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973914 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -99.638
Base-Backbone interact. energy: 0.086
local terms energy: -127.979247
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -46.765
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -966.134750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.134750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.134750 (E_RNA)
where:
Base-Base interactions energy: -672.771
where: short stacking energy: -286.366
Base-Backbone interact. energy: -0.486
local terms energy: -292.877046
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: -82.138
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -941.449855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.449855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.449855 (E_RNA)
where:
Base-Base interactions energy: -654.871
where: short stacking energy: -280.966
Base-Backbone interact. energy: -0.760
local terms energy: -285.818632
where:
bonds (distance) C4'-P energy: -45.436
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -66.332
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -86.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -873.843939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.843939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.843939 (E_RNA)
where:
Base-Base interactions energy: -597.295
where: short stacking energy: -270.414
Base-Backbone interact. energy: 1.476
local terms energy: -278.024563
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -74.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -858.410901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.410901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.410901 (E_RNA)
where:
Base-Base interactions energy: -587.726
where: short stacking energy: -266.235
Base-Backbone interact. energy: -0.803
local terms energy: -269.882547
where:
bonds (distance) C4'-P energy: -46.457
bonds (distance) P-C4' energy: -44.811
flat angles C4'-P-C4' energy: -63.597
flat angles P-C4'-P energy: -33.442
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -810.295286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.295286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.295286 (E_RNA)
where:
Base-Base interactions energy: -549.791
where: short stacking energy: -234.363
Base-Backbone interact. energy: -1.108
local terms energy: -259.395825
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -62.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -825.565879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.565879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.565879 (E_RNA)
where:
Base-Base interactions energy: -562.150
where: short stacking energy: -251.974
Base-Backbone interact. energy: -1.234
local terms energy: -262.182478
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -49.189
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -41.019
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -794.371928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.371928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.371928 (E_RNA)
where:
Base-Base interactions energy: -555.101
where: short stacking energy: -240.148
Base-Backbone interact. energy: 1.201
local terms energy: -240.471745
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -45.612
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -68.611
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: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -628.499501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.499501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.499501 (E_RNA)
where:
Base-Base interactions energy: -422.297
where: short stacking energy: -162.869
Base-Backbone interact. energy: -1.951
local terms energy: -204.251001
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -39.331
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -400.494074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.494074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.494074 (E_RNA)
where:
Base-Base interactions energy: -227.211
where: short stacking energy: -125.350
Base-Backbone interact. energy: -0.082
local terms energy: -173.201613
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -48.606
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -236.018890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.018890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.018890 (E_RNA)
where:
Base-Base interactions energy: -91.110
where: short stacking energy: -81.645
Base-Backbone interact. energy: 6.084
local terms energy: -150.992229
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -49.592
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -982.831823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.831823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.831823 (E_RNA)
where:
Base-Base interactions energy: -678.466
where: short stacking energy: -292.866
Base-Backbone interact. energy: 0.103
local terms energy: -304.468413
where:
bonds (distance) C4'-P energy: -56.363
bonds (distance) P-C4' energy: -60.540
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -84.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -944.314612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.314612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.314612 (E_RNA)
where:
Base-Base interactions energy: -657.624
where: short stacking energy: -280.706
Base-Backbone interact. energy: 1.640
local terms energy: -288.329894
where:
bonds (distance) C4'-P energy: -58.757
bonds (distance) P-C4' energy: -55.424
flat angles C4'-P-C4' energy: -55.161
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -81.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -885.314941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.314941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.314941 (E_RNA)
where:
Base-Base interactions energy: -597.602
where: short stacking energy: -256.662
Base-Backbone interact. energy: -0.520
local terms energy: -287.192608
where:
bonds (distance) C4'-P energy: -63.381
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -39.765
tors. eta vs tors. theta energy: -73.895
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: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -842.336707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.336707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.336707 (E_RNA)
where:
Base-Base interactions energy: -586.763
where: short stacking energy: -259.782
Base-Backbone interact. energy: -0.131
local terms energy: -255.442718
where:
bonds (distance) C4'-P energy: -52.047
bonds (distance) P-C4' energy: -47.978
flat angles C4'-P-C4' energy: -49.413
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -75.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -806.948352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.948352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.948352 (E_RNA)
where:
Base-Base interactions energy: -554.002
where: short stacking energy: -232.762
Base-Backbone interact. energy: 2.623
local terms energy: -255.569538
where:
bonds (distance) C4'-P energy: -54.550
bonds (distance) P-C4' energy: -45.615
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -64.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -788.771130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.771130 (E_RNA)
where:
Base-Base interactions energy: -536.345
where: short stacking energy: -227.267
Base-Backbone interact. energy: -0.569
local terms energy: -251.857588
where:
bonds (distance) C4'-P energy: -48.834
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -71.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -773.934372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.934372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.934372 (E_RNA)
where:
Base-Base interactions energy: -536.161
where: short stacking energy: -222.314
Base-Backbone interact. energy: -0.795
local terms energy: -236.978551
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -58.328
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -58.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -729.458993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.458993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.458993 (E_RNA)
where:
Base-Base interactions energy: -498.338
where: short stacking energy: -211.529
Base-Backbone interact. energy: 1.778
local terms energy: -232.898853
where:
bonds (distance) C4'-P energy: -45.342
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -54.774
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -54.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -446.553522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.553522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.553522 (E_RNA)
where:
Base-Base interactions energy: -249.393
where: short stacking energy: -124.711
Base-Backbone interact. energy: -1.476
local terms energy: -195.685480
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -228.042971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042971 (E_RNA)
where:
Base-Base interactions energy: -83.015
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.116
local terms energy: -144.912361
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: 6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -963.652804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.652804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.652804 (E_RNA)
where:
Base-Base interactions energy: -664.101
where: short stacking energy: -281.035
Base-Backbone interact. energy: -1.157
local terms energy: -298.394712
where:
bonds (distance) C4'-P energy: -45.667
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -44.506
tors. eta vs tors. theta energy: -86.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -958.483613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.483613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.483613 (E_RNA)
where:
Base-Base interactions energy: -660.371
where: short stacking energy: -279.037
Base-Backbone interact. energy: -1.806
local terms energy: -296.307373
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -64.366
flat angles P-C4'-P energy: -41.206
tors. eta vs tors. theta energy: -85.523
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: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -883.651442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.651442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.651442 (E_RNA)
where:
Base-Base interactions energy: -610.692
where: short stacking energy: -267.765
Base-Backbone interact. energy: -0.900
local terms energy: -272.059576
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -46.483
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -84.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -830.076280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.076280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.076280 (E_RNA)
where:
Base-Base interactions energy: -576.739
where: short stacking energy: -250.506
Base-Backbone interact. energy: -0.360
local terms energy: -252.977561
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -67.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -801.013742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.013742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.013742 (E_RNA)
where:
Base-Base interactions energy: -553.212
where: short stacking energy: -227.677
Base-Backbone interact. energy: 0.079
local terms energy: -247.880695
where:
bonds (distance) C4'-P energy: -53.520
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -64.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -803.708609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.708609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.708609 (E_RNA)
where:
Base-Base interactions energy: -548.483
where: short stacking energy: -240.176
Base-Backbone interact. energy: 0.782
local terms energy: -256.007150
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -47.046
flat angles C4'-P-C4' energy: -56.523
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -64.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -765.267940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.267940 (E_RNA)
where:
Base-Base interactions energy: -515.710
where: short stacking energy: -226.930
Base-Backbone interact. energy: -0.481
local terms energy: -249.077325
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -57.024
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -715.704968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.704968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.704968 (E_RNA)
where:
Base-Base interactions energy: -514.900
where: short stacking energy: -211.149
Base-Backbone interact. energy: 3.961
local terms energy: -204.766735
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -42.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -432.479204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.479204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.479204 (E_RNA)
where:
Base-Base interactions energy: -251.230
where: short stacking energy: -128.134
Base-Backbone interact. energy: -0.467
local terms energy: -180.782232
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -50.741
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -15.037
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: 218
Temperature: 1.350000
Total energy: -227.011991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.011991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.011991 (E_RNA)
where:
Base-Base interactions energy: -94.540
where: short stacking energy: -65.825
Base-Backbone interact. energy: 0.695
local terms energy: -133.166678
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -43.445
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: 5.368
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: 219
Temperature: 0.900000
Total energy: -977.587204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.587204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.587204 (E_RNA)
where:
Base-Base interactions energy: -671.168
where: short stacking energy: -295.301
Base-Backbone interact. energy: -0.524
local terms energy: -305.895435
where:
bonds (distance) C4'-P energy: -52.321
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -85.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -947.133724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.133724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.133724 (E_RNA)
where:
Base-Base interactions energy: -664.315
where: short stacking energy: -287.925
Base-Backbone interact. energy: -0.627
local terms energy: -282.191423
where:
bonds (distance) C4'-P energy: -42.543
bonds (distance) P-C4' energy: -60.367
flat angles C4'-P-C4' energy: -50.768
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -89.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -881.469121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.469121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.469121 (E_RNA)
where:
Base-Base interactions energy: -593.025
where: short stacking energy: -253.897
Base-Backbone interact. energy: -3.466
local terms energy: -284.978503
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -65.607
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -81.798
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: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -842.085232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.085232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.085232 (E_RNA)
where:
Base-Base interactions energy: -577.179
where: short stacking energy: -247.377
Base-Backbone interact. energy: -0.422
local terms energy: -264.484910
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -53.952
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -73.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -820.865203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.865203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.865203 (E_RNA)
where:
Base-Base interactions energy: -563.830
where: short stacking energy: -232.705
Base-Backbone interact. energy: -1.303
local terms energy: -255.732784
where:
bonds (distance) C4'-P energy: -54.223
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -49.753
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -787.134045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.134045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.134045 (E_RNA)
where:
Base-Base interactions energy: -541.002
where: short stacking energy: -244.216
Base-Backbone interact. energy: 1.575
local terms energy: -247.707815
where:
bonds (distance) C4'-P energy: -52.829
bonds (distance) P-C4' energy: -43.514
flat angles C4'-P-C4' energy: -51.343
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -67.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -763.780105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.780105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.780105 (E_RNA)
where:
Base-Base interactions energy: -521.687
where: short stacking energy: -220.930
Base-Backbone interact. energy: -0.812
local terms energy: -241.281360
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -69.476
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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -678.144793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.144793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.144793 (E_RNA)
where:
Base-Base interactions energy: -480.562
where: short stacking energy: -207.398
Base-Backbone interact. energy: -1.108
local terms energy: -196.475414
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -42.234
flat angles P-C4'-P energy: -33.053
tors. eta vs tors. theta energy: -51.379
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: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -420.158090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.158090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.158090 (E_RNA)
where:
Base-Base interactions energy: -250.412
where: short stacking energy: -124.215
Base-Backbone interact. energy: 0.332
local terms energy: -170.078349
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -11.167
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: 219
Temperature: 1.350000
Total energy: -215.631322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.631322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.631322 (E_RNA)
where:
Base-Base interactions energy: -64.987
where: short stacking energy: -60.113
Base-Backbone interact. energy: 1.495
local terms energy: -152.138988
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -9.152
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: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -976.825553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.825553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.825553 (E_RNA)
where:
Base-Base interactions energy: -686.263
where: short stacking energy: -296.204
Base-Backbone interact. energy: -0.612
local terms energy: -289.950196
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -59.937
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: -85.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -950.286023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.286023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.286023 (E_RNA)
where:
Base-Base interactions energy: -659.417
where: short stacking energy: -284.861
Base-Backbone interact. energy: -1.672
local terms energy: -289.197681
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -50.715
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -88.468
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -897.275498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.275498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.275498 (E_RNA)
where:
Base-Base interactions energy: -618.151
where: short stacking energy: -263.450
Base-Backbone interact. energy: -0.495
local terms energy: -278.629013
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -63.677
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -75.869
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: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -831.603950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.603950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.603950 (E_RNA)
where:
Base-Base interactions energy: -578.475
where: short stacking energy: -256.753
Base-Backbone interact. energy: -0.322
local terms energy: -252.807551
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -68.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -793.545075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.545075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.545075 (E_RNA)
where:
Base-Base interactions energy: -551.999
where: short stacking energy: -221.325
Base-Backbone interact. energy: -0.713
local terms energy: -240.833163
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -57.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -787.255138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.255138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.255138 (E_RNA)
where:
Base-Base interactions energy: -530.247
where: short stacking energy: -220.619
Base-Backbone interact. energy: -0.297
local terms energy: -256.710969
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -40.837
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: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -793.839592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.839592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.839592 (E_RNA)
where:
Base-Base interactions energy: -540.386
where: short stacking energy: -223.465
Base-Backbone interact. energy: -0.414
local terms energy: -253.039609
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -55.280
flat angles P-C4'-P energy: -35.631
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: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -735.808345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.808345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.808345 (E_RNA)
where:
Base-Base interactions energy: -512.944
where: short stacking energy: -229.005
Base-Backbone interact. energy: -0.069
local terms energy: -222.795476
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -47.951
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -30.808
tors. eta vs tors. theta energy: -73.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -439.066081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.066081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.066081 (E_RNA)
where:
Base-Base interactions energy: -269.197
where: short stacking energy: -115.524
Base-Backbone interact. energy: 5.719
local terms energy: -175.588831
where:
bonds (distance) C4'-P energy: -48.050
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -41.084
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -236.979841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.979841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.979841 (E_RNA)
where:
Base-Base interactions energy: -101.679
where: short stacking energy: -76.850
Base-Backbone interact. energy: 0.879
local terms energy: -136.179486
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: 8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -970.690988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.690988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.690988 (E_RNA)
where:
Base-Base interactions energy: -677.913
where: short stacking energy: -300.678
Base-Backbone interact. energy: -1.290
local terms energy: -291.487473
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -85.261
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -958.623776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.623776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.623776 (E_RNA)
where:
Base-Base interactions energy: -676.818
where: short stacking energy: -288.807
Base-Backbone interact. energy: 0.178
local terms energy: -281.983655
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -83.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -896.665939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.665939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.665939 (E_RNA)
where:
Base-Base interactions energy: -621.825
where: short stacking energy: -262.941
Base-Backbone interact. energy: 1.361
local terms energy: -276.201847
where:
bonds (distance) C4'-P energy: -55.561
bonds (distance) P-C4' energy: -42.686
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -78.509
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: 221
Temperature: 1.050000
Total energy: -816.530443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.530443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.530443 (E_RNA)
where:
Base-Base interactions energy: -561.297
where: short stacking energy: -239.973
Base-Backbone interact. energy: -1.870
local terms energy: -253.363030
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -57.445
flat angles P-C4'-P energy: -41.090
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -823.719530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.719530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.719530 (E_RNA)
where:
Base-Base interactions energy: -575.133
where: short stacking energy: -242.201
Base-Backbone interact. energy: -1.082
local terms energy: -247.504155
where:
bonds (distance) C4'-P energy: -38.807
bonds (distance) P-C4' energy: -49.113
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -33.363
tors. eta vs tors. theta energy: -69.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -784.723213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.723213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.723213 (E_RNA)
where:
Base-Base interactions energy: -535.643
where: short stacking energy: -230.109
Base-Backbone interact. energy: -0.618
local terms energy: -248.461971
where:
bonds (distance) C4'-P energy: -49.698
bonds (distance) P-C4' energy: -48.568
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -61.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -770.120411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.120411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.120411 (E_RNA)
where:
Base-Base interactions energy: -542.052
where: short stacking energy: -220.043
Base-Backbone interact. energy: -0.987
local terms energy: -227.081794
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -64.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -705.175916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.175916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.175916 (E_RNA)
where:
Base-Base interactions energy: -487.976
where: short stacking energy: -203.128
Base-Backbone interact. energy: 0.469
local terms energy: -217.668488
where:
bonds (distance) C4'-P energy: -43.253
bonds (distance) P-C4' energy: -40.485
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -59.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -432.361698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.361698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.361698 (E_RNA)
where:
Base-Base interactions energy: -255.504
where: short stacking energy: -133.784
Base-Backbone interact. energy: 2.163
local terms energy: -179.020737
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -30.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -230.774351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.774351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.774351 (E_RNA)
where:
Base-Base interactions energy: -87.343
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.767
local terms energy: -142.663952
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -974.035264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.035264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.035264 (E_RNA)
where:
Base-Base interactions energy: -688.642
where: short stacking energy: -292.164
Base-Backbone interact. energy: 3.053
local terms energy: -288.446736
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -52.878
flat angles C4'-P-C4' energy: -59.419
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -957.872633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.872633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.872633 (E_RNA)
where:
Base-Base interactions energy: -664.382
where: short stacking energy: -294.822
Base-Backbone interact. energy: -1.660
local terms energy: -291.830750
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -45.092
tors. eta vs tors. theta energy: -87.437
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -902.334210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.334210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.334210 (E_RNA)
where:
Base-Base interactions energy: -613.846
where: short stacking energy: -263.817
Base-Backbone interact. energy: -1.061
local terms energy: -287.427200
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: -80.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -821.907865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.907865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.907865 (E_RNA)
where:
Base-Base interactions energy: -552.642
where: short stacking energy: -240.459
Base-Backbone interact. energy: -1.150
local terms energy: -268.115592
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -52.218
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -71.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -792.897826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.897826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.897826 (E_RNA)
where:
Base-Base interactions energy: -549.718
where: short stacking energy: -230.958
Base-Backbone interact. energy: -0.717
local terms energy: -242.463035
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -60.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -804.166106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.166106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.166106 (E_RNA)
where:
Base-Base interactions energy: -553.637
where: short stacking energy: -229.254
Base-Backbone interact. energy: 3.157
local terms energy: -253.686461
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -66.681
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: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -769.453571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.453571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.453571 (E_RNA)
where:
Base-Base interactions energy: -525.236
where: short stacking energy: -221.082
Base-Backbone interact. energy: -1.553
local terms energy: -242.664377
where:
bonds (distance) C4'-P energy: -46.972
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -50.009
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -64.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -707.802167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.802167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.802167 (E_RNA)
where:
Base-Base interactions energy: -482.425
where: short stacking energy: -210.389
Base-Backbone interact. energy: -1.141
local terms energy: -224.235435
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -43.813
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -56.032
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -418.204956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.204956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.204956 (E_RNA)
where:
Base-Base interactions energy: -229.069
where: short stacking energy: -133.157
Base-Backbone interact. energy: 0.478
local terms energy: -189.614365
where:
bonds (distance) C4'-P energy: -53.656
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -228.625500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.625500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.625500 (E_RNA)
where:
Base-Base interactions energy: -92.797
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.216
local terms energy: -135.612896
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: 8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -973.191279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.191279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.191279 (E_RNA)
where:
Base-Base interactions energy: -676.487
where: short stacking energy: -294.197
Base-Backbone interact. energy: -1.248
local terms energy: -295.456348
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -56.628
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -950.390839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.390839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.390839 (E_RNA)
where:
Base-Base interactions energy: -647.444
where: short stacking energy: -282.694
Base-Backbone interact. energy: -0.659
local terms energy: -302.287922
where:
bonds (distance) C4'-P energy: -53.909
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -86.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -912.738025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.738025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.738025 (E_RNA)
where:
Base-Base interactions energy: -634.952
where: short stacking energy: -262.689
Base-Backbone interact. energy: -0.846
local terms energy: -276.939784
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -57.300
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -76.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -800.335398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.335398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.335398 (E_RNA)
where:
Base-Base interactions energy: -546.630
where: short stacking energy: -228.445
Base-Backbone interact. energy: -0.905
local terms energy: -252.799770
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -53.921
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -59.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -831.276268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.276268 (E_RNA)
where:
Base-Base interactions energy: -573.724
where: short stacking energy: -250.104
Base-Backbone interact. energy: 0.003
local terms energy: -257.555119
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -48.444
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -74.319
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -792.954335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.954335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.954335 (E_RNA)
where:
Base-Base interactions energy: -538.555
where: short stacking energy: -235.238
Base-Backbone interact. energy: -0.520
local terms energy: -253.878838
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -65.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -775.716898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.716898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.716898 (E_RNA)
where:
Base-Base interactions energy: -516.318
where: short stacking energy: -221.564
Base-Backbone interact. energy: 0.255
local terms energy: -259.653931
where:
bonds (distance) C4'-P energy: -46.896
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -55.021
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -63.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -664.881429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.881429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.881429 (E_RNA)
where:
Base-Base interactions energy: -441.903
where: short stacking energy: -198.627
Base-Backbone interact. energy: -0.657
local terms energy: -222.321581
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -52.290
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -58.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -432.607616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.607616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.607616 (E_RNA)
where:
Base-Base interactions energy: -269.627
where: short stacking energy: -116.219
Base-Backbone interact. energy: 3.268
local terms energy: -166.248766
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -14.640
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: 223
Temperature: 1.350000
Total energy: -243.695813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.695813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.695813 (E_RNA)
where:
Base-Base interactions energy: -72.175
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.982
local terms energy: -170.538883
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -52.968
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -8.088
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -966.208696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.208696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.208696 (E_RNA)
where:
Base-Base interactions energy: -687.114
where: short stacking energy: -284.423
Base-Backbone interact. energy: 1.034
local terms energy: -280.128620
where:
bonds (distance) C4'-P energy: -45.530
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -85.777
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: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -939.219914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.219914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.219914 (E_RNA)
where:
Base-Base interactions energy: -656.568
where: short stacking energy: -284.790
Base-Backbone interact. energy: -1.327
local terms energy: -281.324910
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -43.537
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -83.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -879.966660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.966660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.966660 (E_RNA)
where:
Base-Base interactions energy: -612.480
where: short stacking energy: -258.434
Base-Backbone interact. energy: 0.970
local terms energy: -268.456562
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -41.110
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: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -813.028708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.028708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.028708 (E_RNA)
where:
Base-Base interactions energy: -564.270
where: short stacking energy: -234.514
Base-Backbone interact. energy: -0.042
local terms energy: -248.716117
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -46.859
flat angles C4'-P-C4' energy: -57.287
flat angles P-C4'-P energy: -40.853
tors. eta vs tors. theta energy: -61.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -799.498304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.498304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.498304 (E_RNA)
where:
Base-Base interactions energy: -552.010
where: short stacking energy: -239.377
Base-Backbone interact. energy: -0.929
local terms energy: -246.559215
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -53.772
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -37.320
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: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -796.558830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.558830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.558830 (E_RNA)
where:
Base-Base interactions energy: -550.678
where: short stacking energy: -233.047
Base-Backbone interact. energy: 2.069
local terms energy: -247.949361
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -46.741
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -66.813
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -772.868746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.868746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.868746 (E_RNA)
where:
Base-Base interactions energy: -515.493
where: short stacking energy: -224.811
Base-Backbone interact. energy: 4.057
local terms energy: -261.432745
where:
bonds (distance) C4'-P energy: -49.416
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -68.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -673.920511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.920511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.920511 (E_RNA)
where:
Base-Base interactions energy: -458.498
where: short stacking energy: -196.661
Base-Backbone interact. energy: -0.878
local terms energy: -214.544331
where:
bonds (distance) C4'-P energy: -39.055
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -46.201
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -49.479
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: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -425.614490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.614490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.614490 (E_RNA)
where:
Base-Base interactions energy: -257.276
where: short stacking energy: -124.807
Base-Backbone interact. energy: -0.516
local terms energy: -167.822377
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -48.527
flat angles C4'-P-C4' energy: -34.744
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -14.466
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -254.351321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.351321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.351321 (E_RNA)
where:
Base-Base interactions energy: -94.741
where: short stacking energy: -79.333
Base-Backbone interact. energy: 0.567
local terms energy: -160.177370
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -989.332326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.332326 (E_RNA)
where:
Base-Base interactions energy: -689.747
where: short stacking energy: -297.477
Base-Backbone interact. energy: -1.549
local terms energy: -298.036306
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -58.015
flat angles C4'-P-C4' energy: -58.738
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -89.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -933.236536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.236536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.236536 (E_RNA)
where:
Base-Base interactions energy: -656.134
where: short stacking energy: -286.246
Base-Backbone interact. energy: -1.144
local terms energy: -275.958767
where:
bonds (distance) C4'-P energy: -49.533
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -45.266
tors. eta vs tors. theta energy: -80.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -880.766084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.766084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.766084 (E_RNA)
where:
Base-Base interactions energy: -609.096
where: short stacking energy: -268.904
Base-Backbone interact. energy: -1.306
local terms energy: -270.363441
where:
bonds (distance) C4'-P energy: -49.416
bonds (distance) P-C4' energy: -55.641
flat angles C4'-P-C4' energy: -50.404
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -83.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -829.455719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.455719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.455719 (E_RNA)
where:
Base-Base interactions energy: -576.329
where: short stacking energy: -251.069
Base-Backbone interact. energy: -0.415
local terms energy: -252.712086
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -52.141
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -72.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -792.295969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.295969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.295969 (E_RNA)
where:
Base-Base interactions energy: -526.805
where: short stacking energy: -222.707
Base-Backbone interact. energy: -0.326
local terms energy: -265.164576
where:
bonds (distance) C4'-P energy: -47.632
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -51.673
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -72.345
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: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -789.643581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.643581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.643581 (E_RNA)
where:
Base-Base interactions energy: -546.372
where: short stacking energy: -245.588
Base-Backbone interact. energy: -1.728
local terms energy: -241.543918
where:
bonds (distance) C4'-P energy: -35.009
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -50.228
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -77.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -793.184237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.184237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.184237 (E_RNA)
where:
Base-Base interactions energy: -557.899
where: short stacking energy: -229.686
Base-Backbone interact. energy: -0.332
local terms energy: -234.953929
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -72.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -727.139103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.139103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.139103 (E_RNA)
where:
Base-Base interactions energy: -508.763
where: short stacking energy: -239.643
Base-Backbone interact. energy: -0.390
local terms energy: -217.986280
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -45.122
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -473.977326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.977326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.977326 (E_RNA)
where:
Base-Base interactions energy: -291.284
where: short stacking energy: -140.798
Base-Backbone interact. energy: -0.431
local terms energy: -182.262354
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -47.933
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -235.219629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.219629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.219629 (E_RNA)
where:
Base-Base interactions energy: -78.931
where: short stacking energy: -61.749
Base-Backbone interact. energy: -1.663
local terms energy: -154.626244
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: 5.467
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -977.231243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.231243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.231243 (E_RNA)
where:
Base-Base interactions energy: -673.523
where: short stacking energy: -293.457
Base-Backbone interact. energy: -1.347
local terms energy: -302.360910
where:
bonds (distance) C4'-P energy: -49.471
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: -90.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -953.909489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.909489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.909489 (E_RNA)
where:
Base-Base interactions energy: -656.463
where: short stacking energy: -276.881
Base-Backbone interact. energy: 1.034
local terms energy: -298.480466
where:
bonds (distance) C4'-P energy: -56.728
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -84.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -902.098202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.098202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.098202 (E_RNA)
where:
Base-Base interactions energy: -612.330
where: short stacking energy: -269.085
Base-Backbone interact. energy: -1.236
local terms energy: -288.532261
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -80.418
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: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -843.813717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.813717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.813717 (E_RNA)
where:
Base-Base interactions energy: -579.892
where: short stacking energy: -251.607
Base-Backbone interact. energy: 0.875
local terms energy: -264.797537
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -68.738
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: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -811.804570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.804570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.804570 (E_RNA)
where:
Base-Base interactions energy: -562.890
where: short stacking energy: -233.433
Base-Backbone interact. energy: 0.674
local terms energy: -249.589188
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -52.716
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -35.788
tors. eta vs tors. theta energy: -57.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -772.327086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.327086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.327086 (E_RNA)
where:
Base-Base interactions energy: -532.819
where: short stacking energy: -220.160
Base-Backbone interact. energy: -0.285
local terms energy: -239.223429
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -56.805
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -63.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -789.247536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.247536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.247536 (E_RNA)
where:
Base-Base interactions energy: -541.857
where: short stacking energy: -231.570
Base-Backbone interact. energy: -0.104
local terms energy: -247.286318
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -67.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -713.902206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.902206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.902206 (E_RNA)
where:
Base-Base interactions energy: -471.833
where: short stacking energy: -203.060
Base-Backbone interact. energy: -0.227
local terms energy: -241.842632
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -52.442
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -59.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -456.729292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.729292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.729292 (E_RNA)
where:
Base-Base interactions energy: -286.690
where: short stacking energy: -119.896
Base-Backbone interact. energy: 0.514
local terms energy: -170.553935
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -227.202408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.202408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.202408 (E_RNA)
where:
Base-Base interactions energy: -94.353
where: short stacking energy: -77.695
Base-Backbone interact. energy: 4.295
local terms energy: -137.143936
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -49.304
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: 2.878
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -973.977617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.977617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.977617 (E_RNA)
where:
Base-Base interactions energy: -679.372
where: short stacking energy: -296.562
Base-Backbone interact. energy: -0.403
local terms energy: -294.202505
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -56.770
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -86.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -952.141004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.141004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.141004 (E_RNA)
where:
Base-Base interactions energy: -665.534
where: short stacking energy: -303.240
Base-Backbone interact. energy: -1.202
local terms energy: -285.404445
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -87.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -879.893528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.893528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.893528 (E_RNA)
where:
Base-Base interactions energy: -605.833
where: short stacking energy: -259.276
Base-Backbone interact. energy: -1.065
local terms energy: -272.994941
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -37.241
tors. eta vs tors. theta energy: -83.078
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -843.830977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.830977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.830977 (E_RNA)
where:
Base-Base interactions energy: -576.276
where: short stacking energy: -254.089
Base-Backbone interact. energy: -0.328
local terms energy: -267.226984
where:
bonds (distance) C4'-P energy: -48.143
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -43.666
tors. eta vs tors. theta energy: -76.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -807.185980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.185980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.185980 (E_RNA)
where:
Base-Base interactions energy: -568.651
where: short stacking energy: -232.996
Base-Backbone interact. energy: -0.924
local terms energy: -237.611238
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -55.060
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -60.229
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: 227
Temperature: 1.150000
Total energy: -820.572578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.572578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.572578 (E_RNA)
where:
Base-Base interactions energy: -549.559
where: short stacking energy: -238.212
Base-Backbone interact. energy: -1.266
local terms energy: -269.747475
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -55.711
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -75.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -771.853748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.853748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.853748 (E_RNA)
where:
Base-Base interactions energy: -535.222
where: short stacking energy: -239.071
Base-Backbone interact. energy: -0.210
local terms energy: -236.421943
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -48.323
flat angles C4'-P-C4' energy: -56.584
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -69.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -616.537066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.537066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.537066 (E_RNA)
where:
Base-Base interactions energy: -431.263
where: short stacking energy: -189.146
Base-Backbone interact. energy: -1.256
local terms energy: -184.018355
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -38.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -426.138804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.138804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.138804 (E_RNA)
where:
Base-Base interactions energy: -252.417
where: short stacking energy: -133.691
Base-Backbone interact. energy: -0.495
local terms energy: -173.226699
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -46.489
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -229.699401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.699401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.699401 (E_RNA)
where:
Base-Base interactions energy: -88.064
where: short stacking energy: -59.576
Base-Backbone interact. energy: 3.293
local terms energy: -144.928275
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -51.414
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: 12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -967.612992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.612992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.612992 (E_RNA)
where:
Base-Base interactions energy: -671.176
where: short stacking energy: -291.290
Base-Backbone interact. energy: -1.150
local terms energy: -295.287398
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -46.501
tors. eta vs tors. theta energy: -86.307
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: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -931.559668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.559668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.559668 (E_RNA)
where:
Base-Base interactions energy: -645.259
where: short stacking energy: -286.941
Base-Backbone interact. energy: 1.867
local terms energy: -288.167963
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -53.333
flat angles C4'-P-C4' energy: -57.771
flat angles P-C4'-P energy: -46.417
tors. eta vs tors. theta energy: -82.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -892.926575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.926575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.926575 (E_RNA)
where:
Base-Base interactions energy: -619.196
where: short stacking energy: -264.789
Base-Backbone interact. energy: -0.907
local terms energy: -272.824114
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -49.659
flat angles C4'-P-C4' energy: -59.360
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -77.735
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: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -839.156451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.156451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.156451 (E_RNA)
where:
Base-Base interactions energy: -569.997
where: short stacking energy: -247.222
Base-Backbone interact. energy: -0.285
local terms energy: -268.874933
where:
bonds (distance) C4'-P energy: -46.109
bonds (distance) P-C4' energy: -61.000
flat angles C4'-P-C4' energy: -54.455
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -69.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -825.064923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.064923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.064923 (E_RNA)
where:
Base-Base interactions energy: -563.935
where: short stacking energy: -237.721
Base-Backbone interact. energy: -0.166
local terms energy: -260.963876
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -71.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -817.264585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.264585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.264585 (E_RNA)
where:
Base-Base interactions energy: -557.083
where: short stacking energy: -242.354
Base-Backbone interact. energy: -0.609
local terms energy: -259.572574
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -58.567
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -70.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -761.067230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.067230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.067230 (E_RNA)
where:
Base-Base interactions energy: -522.828
where: short stacking energy: -212.553
Base-Backbone interact. energy: -0.320
local terms energy: -237.918961
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -62.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -651.521068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.521068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.521068 (E_RNA)
where:
Base-Base interactions energy: -437.576
where: short stacking energy: -189.657
Base-Backbone interact. energy: -0.263
local terms energy: -213.682367
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -48.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -494.204084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.204084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.204084 (E_RNA)
where:
Base-Base interactions energy: -301.745
where: short stacking energy: -149.903
Base-Backbone interact. energy: -1.762
local terms energy: -190.697644
where:
bonds (distance) C4'-P energy: -48.528
bonds (distance) P-C4' energy: -42.433
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -29.596
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: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -233.274271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.274271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.274271 (E_RNA)
where:
Base-Base interactions energy: -79.008
where: short stacking energy: -62.077
Base-Backbone interact. energy: -1.143
local terms energy: -153.123436
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -977.254851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.254851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.254851 (E_RNA)
where:
Base-Base interactions energy: -666.819
where: short stacking energy: -285.418
Base-Backbone interact. energy: -0.275
local terms energy: -310.160630
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -64.725
flat angles C4'-P-C4' energy: -61.586
flat angles P-C4'-P energy: -39.918
tors. eta vs tors. theta energy: -89.847
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: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -936.340934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.340934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.340934 (E_RNA)
where:
Base-Base interactions energy: -650.268
where: short stacking energy: -278.179
Base-Backbone interact. energy: -1.116
local terms energy: -284.956571
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -52.990
flat angles C4'-P-C4' energy: -63.960
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -80.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -900.654881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.654881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.654881 (E_RNA)
where:
Base-Base interactions energy: -619.642
where: short stacking energy: -266.242
Base-Backbone interact. energy: 0.260
local terms energy: -281.273561
where:
bonds (distance) C4'-P energy: -52.336
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -59.416
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: -82.260
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -840.901324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.901324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.901324 (E_RNA)
where:
Base-Base interactions energy: -579.910
where: short stacking energy: -260.622
Base-Backbone interact. energy: -1.081
local terms energy: -259.910219
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -44.826
tors. eta vs tors. theta energy: -70.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -812.181902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.181902 (E_RNA)
where:
Base-Base interactions energy: -546.168
where: short stacking energy: -237.086
Base-Backbone interact. energy: -0.762
local terms energy: -265.252213
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -55.827
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -63.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -768.286000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.286000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.286000 (E_RNA)
where:
Base-Base interactions energy: -531.368
where: short stacking energy: -213.924
Base-Backbone interact. energy: -0.363
local terms energy: -236.555486
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -53.635
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: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -765.000084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.000084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.000084 (E_RNA)
where:
Base-Base interactions energy: -533.288
where: short stacking energy: -222.033
Base-Backbone interact. energy: 0.528
local terms energy: -232.240047
where:
bonds (distance) C4'-P energy: -39.292
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -54.901
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -70.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -601.035010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.035010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.035010 (E_RNA)
where:
Base-Base interactions energy: -396.224
where: short stacking energy: -159.076
Base-Backbone interact. energy: -1.604
local terms energy: -203.206506
where:
bonds (distance) C4'-P energy: -38.558
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -467.652041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.652041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.652041 (E_RNA)
where:
Base-Base interactions energy: -300.077
where: short stacking energy: -130.804
Base-Backbone interact. energy: -0.682
local terms energy: -166.892320
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -16.222
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: 229
Temperature: 1.350000
Total energy: -229.123631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.123631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.123631 (E_RNA)
where:
Base-Base interactions energy: -82.914
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.975
local terms energy: -145.234369
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -43.626
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: 4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -980.975998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.975998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.975998 (E_RNA)
where:
Base-Base interactions energy: -691.451
where: short stacking energy: -300.063
Base-Backbone interact. energy: -1.281
local terms energy: -288.243729
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -51.681
flat angles C4'-P-C4' energy: -56.275
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -93.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -935.572030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.572030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.572030 (E_RNA)
where:
Base-Base interactions energy: -642.747
where: short stacking energy: -281.223
Base-Backbone interact. energy: -0.958
local terms energy: -291.867160
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -58.229
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -86.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -879.883704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.883704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.883704 (E_RNA)
where:
Base-Base interactions energy: -602.165
where: short stacking energy: -259.260
Base-Backbone interact. energy: -1.979
local terms energy: -275.739306
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -51.887
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -74.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -822.186868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.186868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.186868 (E_RNA)
where:
Base-Base interactions energy: -552.604
where: short stacking energy: -240.927
Base-Backbone interact. energy: -0.364
local terms energy: -269.218654
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -56.621
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -43.566
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -817.074648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.074648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.074648 (E_RNA)
where:
Base-Base interactions energy: -561.359
where: short stacking energy: -251.124
Base-Backbone interact. energy: -0.349
local terms energy: -255.366056
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -46.725
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -68.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -775.069584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.069584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.069584 (E_RNA)
where:
Base-Base interactions energy: -535.315
where: short stacking energy: -216.222
Base-Backbone interact. energy: 0.323
local terms energy: -240.077447
where:
bonds (distance) C4'-P energy: -45.095
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -52.137
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -57.260
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: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -760.468624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.468624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.468624 (E_RNA)
where:
Base-Base interactions energy: -525.513
where: short stacking energy: -235.903
Base-Backbone interact. energy: -0.242
local terms energy: -234.714268
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -48.549
flat angles C4'-P-C4' energy: -43.341
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -66.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -689.567873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.567873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.567873 (E_RNA)
where:
Base-Base interactions energy: -461.892
where: short stacking energy: -182.427
Base-Backbone interact. energy: -1.410
local terms energy: -226.266179
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -54.799
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -51.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -431.146189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.146189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.146189 (E_RNA)
where:
Base-Base interactions energy: -259.146
where: short stacking energy: -126.457
Base-Backbone interact. energy: 2.807
local terms energy: -174.807066
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -41.226
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -25.139
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: 230
Temperature: 1.350000
Total energy: -219.556392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.556392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.556392 (E_RNA)
where:
Base-Base interactions energy: -68.347
where: short stacking energy: -58.196
Base-Backbone interact. energy: 0.324
local terms energy: -151.533938
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -33.401
flat angles P-C4'-P energy: -25.735
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: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -979.079667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.079667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.079667 (E_RNA)
where:
Base-Base interactions energy: -668.480
where: short stacking energy: -288.736
Base-Backbone interact. energy: -2.221
local terms energy: -308.378664
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -942.466131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.466131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.466131 (E_RNA)
where:
Base-Base interactions energy: -652.286
where: short stacking energy: -279.821
Base-Backbone interact. energy: -0.124
local terms energy: -290.056196
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -47.661
flat angles C4'-P-C4' energy: -64.945
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: -78.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -883.121260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.121260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.121260 (E_RNA)
where:
Base-Base interactions energy: -612.581
where: short stacking energy: -270.107
Base-Backbone interact. energy: -1.795
local terms energy: -268.745752
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -44.551
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -76.167
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: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -833.321459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.321459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.321459 (E_RNA)
where:
Base-Base interactions energy: -560.513
where: short stacking energy: -249.720
Base-Backbone interact. energy: -0.362
local terms energy: -272.446784
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -47.426
flat angles C4'-P-C4' energy: -59.322
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -77.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -812.583785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.583785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.583785 (E_RNA)
where:
Base-Base interactions energy: -544.842
where: short stacking energy: -243.445
Base-Backbone interact. energy: -1.193
local terms energy: -266.548580
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -59.512
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -69.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -776.038299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.038299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.038299 (E_RNA)
where:
Base-Base interactions energy: -533.653
where: short stacking energy: -233.575
Base-Backbone interact. energy: 0.385
local terms energy: -242.770046
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -58.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -775.471961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.471961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.471961 (E_RNA)
where:
Base-Base interactions energy: -520.639
where: short stacking energy: -225.523
Base-Backbone interact. energy: 1.121
local terms energy: -255.953881
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -48.679
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -66.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -711.536024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.536024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.536024 (E_RNA)
where:
Base-Base interactions energy: -484.817
where: short stacking energy: -189.659
Base-Backbone interact. energy: -1.468
local terms energy: -225.250844
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -55.927
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -49.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -434.975127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.975127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.975127 (E_RNA)
where:
Base-Base interactions energy: -244.279
where: short stacking energy: -123.211
Base-Backbone interact. energy: -0.278
local terms energy: -190.418085
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -51.595
flat angles C4'-P-C4' energy: -43.259
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -18.923
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: 231
Temperature: 1.350000
Total energy: -219.342899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.342899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.342899 (E_RNA)
where:
Base-Base interactions energy: -65.605
where: short stacking energy: -62.579
Base-Backbone interact. energy: -0.410
local terms energy: -153.328175
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -34.742
tors. eta vs tors. theta energy: 14.979
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -965.013044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.013044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.013044 (E_RNA)
where:
Base-Base interactions energy: -668.207
where: short stacking energy: -282.139
Base-Backbone interact. energy: -2.166
local terms energy: -294.640909
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -56.548
flat angles C4'-P-C4' energy: -61.016
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -89.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -931.329025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.329025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.329025 (E_RNA)
where:
Base-Base interactions energy: -641.805
where: short stacking energy: -262.887
Base-Backbone interact. energy: -1.890
local terms energy: -287.633893
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -79.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -883.370529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.370529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.370529 (E_RNA)
where:
Base-Base interactions energy: -605.706
where: short stacking energy: -260.827
Base-Backbone interact. energy: -1.963
local terms energy: -275.701248
where:
bonds (distance) C4'-P energy: -51.427
bonds (distance) P-C4' energy: -57.725
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: -73.369
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: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -852.115041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.115041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.115041 (E_RNA)
where:
Base-Base interactions energy: -579.051
where: short stacking energy: -259.455
Base-Backbone interact. energy: -0.077
local terms energy: -272.986725
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -53.320
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -76.727
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: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -807.209408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.209408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.209408 (E_RNA)
where:
Base-Base interactions energy: -565.391
where: short stacking energy: -236.656
Base-Backbone interact. energy: 0.335
local terms energy: -242.153414
where:
bonds (distance) C4'-P energy: -40.892
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -52.302
flat angles P-C4'-P energy: -32.662
tors. eta vs tors. theta energy: -59.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -763.116053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.116053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.116053 (E_RNA)
where:
Base-Base interactions energy: -524.399
where: short stacking energy: -231.641
Base-Backbone interact. energy: -0.901
local terms energy: -237.815871
where:
bonds (distance) C4'-P energy: -42.549
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -61.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -782.875798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.875798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.875798 (E_RNA)
where:
Base-Base interactions energy: -543.402
where: short stacking energy: -231.798
Base-Backbone interact. energy: 0.119
local terms energy: -239.592335
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -68.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -657.885958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.885958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.885958 (E_RNA)
where:
Base-Base interactions energy: -430.652
where: short stacking energy: -175.428
Base-Backbone interact. energy: -0.464
local terms energy: -226.769872
where:
bonds (distance) C4'-P energy: -49.611
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -46.287
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -50.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -431.889242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.889242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.889242 (E_RNA)
where:
Base-Base interactions energy: -246.984
where: short stacking energy: -120.564
Base-Backbone interact. energy: -0.153
local terms energy: -184.752293
where:
bonds (distance) C4'-P energy: -47.514
bonds (distance) P-C4' energy: -43.478
flat angles C4'-P-C4' energy: -54.116
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -236.412228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.412228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.412228 (E_RNA)
where:
Base-Base interactions energy: -90.173
where: short stacking energy: -84.157
Base-Backbone interact. energy: -0.435
local terms energy: -145.803726
where:
bonds (distance) C4'-P energy: -40.422
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -41.805
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: 5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -971.867582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.867582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.867582 (E_RNA)
where:
Base-Base interactions energy: -675.923
where: short stacking energy: -289.002
Base-Backbone interact. energy: -1.305
local terms energy: -294.639471
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -84.468
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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -938.364489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.364489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.364489 (E_RNA)
where:
Base-Base interactions energy: -647.312
where: short stacking energy: -280.883
Base-Backbone interact. energy: -0.373
local terms energy: -290.679219
where:
bonds (distance) C4'-P energy: -56.886
bonds (distance) P-C4' energy: -55.753
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -85.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -886.985774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.985774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.985774 (E_RNA)
where:
Base-Base interactions energy: -606.200
where: short stacking energy: -274.808
Base-Backbone interact. energy: -0.654
local terms energy: -280.131547
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -54.494
flat angles P-C4'-P energy: -41.049
tors. eta vs tors. theta energy: -77.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -839.308176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.308176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.308176 (E_RNA)
where:
Base-Base interactions energy: -572.132
where: short stacking energy: -251.775
Base-Backbone interact. energy: 0.623
local terms energy: -267.799543
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -72.232
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -817.803302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.803302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.803302 (E_RNA)
where:
Base-Base interactions energy: -565.069
where: short stacking energy: -238.896
Base-Backbone interact. energy: -0.574
local terms energy: -252.160654
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -50.185
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -69.811
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: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -788.945754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.945754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.945754 (E_RNA)
where:
Base-Base interactions energy: -532.911
where: short stacking energy: -226.446
Base-Backbone interact. energy: -1.958
local terms energy: -254.077325
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -55.195
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: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -763.522510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.522510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.522510 (E_RNA)
where:
Base-Base interactions energy: -534.917
where: short stacking energy: -219.549
Base-Backbone interact. energy: -1.156
local terms energy: -227.449032
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -50.126
flat angles C4'-P-C4' energy: -43.881
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -60.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -673.939765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.939765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.939765 (E_RNA)
where:
Base-Base interactions energy: -450.280
where: short stacking energy: -199.912
Base-Backbone interact. energy: -0.295
local terms energy: -223.365331
where:
bonds (distance) C4'-P energy: -52.983
bonds (distance) P-C4' energy: -43.026
flat angles C4'-P-C4' energy: -50.346
flat angles P-C4'-P energy: -29.124
tors. eta vs tors. theta energy: -47.887
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: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -458.419856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.419856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.419856 (E_RNA)
where:
Base-Base interactions energy: -277.996
where: short stacking energy: -146.932
Base-Backbone interact. energy: 0.832
local terms energy: -181.255651
where:
bonds (distance) C4'-P energy: -36.329
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -38.114
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -230.452452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.452452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.452452 (E_RNA)
where:
Base-Base interactions energy: -83.650
where: short stacking energy: -69.224
Base-Backbone interact. energy: -0.664
local terms energy: -146.138062
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -962.146004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.146004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.146004 (E_RNA)
where:
Base-Base interactions energy: -665.687
where: short stacking energy: -293.625
Base-Backbone interact. energy: -1.561
local terms energy: -294.897593
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -64.573
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -89.841
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: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -959.643889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.643889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.643889 (E_RNA)
where:
Base-Base interactions energy: -666.187
where: short stacking energy: -298.750
Base-Backbone interact. energy: -1.441
local terms energy: -292.016504
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -85.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -877.153538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.153538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.153538 (E_RNA)
where:
Base-Base interactions energy: -593.501
where: short stacking energy: -251.382
Base-Backbone interact. energy: -1.409
local terms energy: -282.243401
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -41.646
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: 234
Temperature: 1.050000
Total energy: -862.737193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.737193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.737193 (E_RNA)
where:
Base-Base interactions energy: -599.910
where: short stacking energy: -255.684
Base-Backbone interact. energy: -0.552
local terms energy: -262.274568
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -60.183
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -796.750054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.750054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.750054 (E_RNA)
where:
Base-Base interactions energy: -552.338
where: short stacking energy: -237.647
Base-Backbone interact. energy: 2.393
local terms energy: -246.804437
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -55.819
flat angles C4'-P-C4' energy: -48.917
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -61.039
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -808.526231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.526231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.526231 (E_RNA)
where:
Base-Base interactions energy: -558.427
where: short stacking energy: -231.871
Base-Backbone interact. energy: -0.720
local terms energy: -249.379309
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -34.702
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: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -741.024645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.024645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.024645 (E_RNA)
where:
Base-Base interactions energy: -503.984
where: short stacking energy: -211.434
Base-Backbone interact. energy: -1.434
local terms energy: -235.606210
where:
bonds (distance) C4'-P energy: -37.760
bonds (distance) P-C4' energy: -53.335
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -57.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -671.284197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.284197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.284197 (E_RNA)
where:
Base-Base interactions energy: -462.161
where: short stacking energy: -193.266
Base-Backbone interact. energy: 1.975
local terms energy: -211.097840
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -51.097
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -38.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -446.377772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.377772 (E_RNA)
where:
Base-Base interactions energy: -262.826
where: short stacking energy: -139.558
Base-Backbone interact. energy: -1.016
local terms energy: -182.535884
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -26.456
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -270.138504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.138504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.138504 (E_RNA)
where:
Base-Base interactions energy: -115.827
where: short stacking energy: -77.651
Base-Backbone interact. energy: 5.503
local terms energy: -159.815079
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -49.456
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: 5.542
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: 235
Temperature: 0.900000
Total energy: -958.226844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.226844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.226844 (E_RNA)
where:
Base-Base interactions energy: -657.278
where: short stacking energy: -279.936
Base-Backbone interact. energy: -0.912
local terms energy: -300.036177
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -59.745
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -89.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -943.612521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.612521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.612521 (E_RNA)
where:
Base-Base interactions energy: -644.001
where: short stacking energy: -283.541
Base-Backbone interact. energy: -1.165
local terms energy: -298.446545
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -58.382
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -84.076
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: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -881.489784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.489784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.489784 (E_RNA)
where:
Base-Base interactions energy: -606.059
where: short stacking energy: -262.126
Base-Backbone interact. energy: -0.369
local terms energy: -275.061791
where:
bonds (distance) C4'-P energy: -49.052
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -62.740
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -68.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -835.019737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.019737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.019737 (E_RNA)
where:
Base-Base interactions energy: -586.808
where: short stacking energy: -247.365
Base-Backbone interact. energy: -0.409
local terms energy: -247.801969
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -31.017
tors. eta vs tors. theta energy: -71.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -844.583774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.583774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.583774 (E_RNA)
where:
Base-Base interactions energy: -591.608
where: short stacking energy: -260.464
Base-Backbone interact. energy: -0.134
local terms energy: -252.841694
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -67.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -808.593243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.593243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.593243 (E_RNA)
where:
Base-Base interactions energy: -559.441
where: short stacking energy: -232.510
Base-Backbone interact. energy: -0.786
local terms energy: -248.366251
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -45.414
flat angles C4'-P-C4' energy: -49.094
flat angles P-C4'-P energy: -33.341
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -750.718392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.718392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.718392 (E_RNA)
where:
Base-Base interactions energy: -519.964
where: short stacking energy: -245.217
Base-Backbone interact. energy: -0.301
local terms energy: -230.453067
where:
bonds (distance) C4'-P energy: -33.390
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -64.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -671.444891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.444891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.444891 (E_RNA)
where:
Base-Base interactions energy: -454.040
where: short stacking energy: -200.885
Base-Backbone interact. energy: -0.345
local terms energy: -217.060716
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -49.494
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -41.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -434.030852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.030852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.030852 (E_RNA)
where:
Base-Base interactions energy: -243.930
where: short stacking energy: -134.582
Base-Backbone interact. energy: -0.501
local terms energy: -189.599526
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -26.812
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: 235
Temperature: 1.350000
Total energy: -292.141080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.141080 (E_RNA)
where:
Base-Base interactions energy: -132.054
where: short stacking energy: -79.907
Base-Backbone interact. energy: 0.148
local terms energy: -160.235900
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -941.818355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.818355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.818355 (E_RNA)
where:
Base-Base interactions energy: -649.202
where: short stacking energy: -287.299
Base-Backbone interact. energy: 0.621
local terms energy: -293.237082
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -53.856
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -88.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -937.353390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.353390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.353390 (E_RNA)
where:
Base-Base interactions energy: -652.760
where: short stacking energy: -274.265
Base-Backbone interact. energy: -1.243
local terms energy: -283.350023
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -80.989
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: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -875.683919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.683919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.683919 (E_RNA)
where:
Base-Base interactions energy: -588.090
where: short stacking energy: -266.679
Base-Backbone interact. energy: -0.254
local terms energy: -287.339681
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -57.477
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -81.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -834.109202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.109202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.109202 (E_RNA)
where:
Base-Base interactions energy: -566.981
where: short stacking energy: -240.705
Base-Backbone interact. energy: -1.191
local terms energy: -265.937217
where:
bonds (distance) C4'-P energy: -52.392
bonds (distance) P-C4' energy: -47.880
flat angles C4'-P-C4' energy: -57.283
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -66.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -824.553400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.553400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.553400 (E_RNA)
where:
Base-Base interactions energy: -572.421
where: short stacking energy: -243.007
Base-Backbone interact. energy: 1.835
local terms energy: -253.967257
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -45.466
flat angles C4'-P-C4' energy: -48.254
flat angles P-C4'-P energy: -41.776
tors. eta vs tors. theta energy: -71.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -815.888269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.888269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.888269 (E_RNA)
where:
Base-Base interactions energy: -566.320
where: short stacking energy: -250.126
Base-Backbone interact. energy: -0.522
local terms energy: -249.046170
where:
bonds (distance) C4'-P energy: -47.088
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -50.871
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -66.455
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -702.940520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.940520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.940520 (E_RNA)
where:
Base-Base interactions energy: -476.419
where: short stacking energy: -208.545
Base-Backbone interact. energy: -0.588
local terms energy: -225.934220
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -49.767
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -57.061
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: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -676.101103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.101103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.101103 (E_RNA)
where:
Base-Base interactions energy: -453.718
where: short stacking energy: -206.725
Base-Backbone interact. energy: -1.024
local terms energy: -221.359053
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -50.395
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -59.192
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: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -428.982180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.982180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.982180 (E_RNA)
where:
Base-Base interactions energy: -244.275
where: short stacking energy: -127.539
Base-Backbone interact. energy: -0.920
local terms energy: -183.787090
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -40.169
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -307.573926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.573926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.573926 (E_RNA)
where:
Base-Base interactions energy: -156.583
where: short stacking energy: -92.968
Base-Backbone interact. energy: 3.162
local terms energy: -154.153558
where:
bonds (distance) C4'-P energy: -39.405
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -22.525
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -959.115916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.115916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.115916 (E_RNA)
where:
Base-Base interactions energy: -669.227
where: short stacking energy: -289.317
Base-Backbone interact. energy: 0.608
local terms energy: -290.496412
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -54.333
flat angles C4'-P-C4' energy: -52.158
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -83.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -943.752874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.752874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.752874 (E_RNA)
where:
Base-Base interactions energy: -654.519
where: short stacking energy: -274.651
Base-Backbone interact. energy: -1.963
local terms energy: -287.270766
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -59.960
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: -78.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -868.732874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.732874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.732874 (E_RNA)
where:
Base-Base interactions energy: -601.909
where: short stacking energy: -248.804
Base-Backbone interact. energy: -1.328
local terms energy: -265.495831
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -51.632
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: -73.718
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: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -843.018203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.018203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.018203 (E_RNA)
where:
Base-Base interactions energy: -581.689
where: short stacking energy: -253.929
Base-Backbone interact. energy: -0.624
local terms energy: -260.705346
where:
bonds (distance) C4'-P energy: -49.119
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -64.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -824.339869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.339869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.339869 (E_RNA)
where:
Base-Base interactions energy: -551.559
where: short stacking energy: -238.537
Base-Backbone interact. energy: -0.869
local terms energy: -271.912005
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -58.757
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -66.762
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: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -797.994566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.994566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.994566 (E_RNA)
where:
Base-Base interactions energy: -549.772
where: short stacking energy: -233.993
Base-Backbone interact. energy: -0.645
local terms energy: -247.577333
where:
bonds (distance) C4'-P energy: -45.092
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -61.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -675.238484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.238484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.238484 (E_RNA)
where:
Base-Base interactions energy: -460.406
where: short stacking energy: -202.210
Base-Backbone interact. energy: -0.722
local terms energy: -214.110798
where:
bonds (distance) C4'-P energy: -44.313
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -46.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -670.674649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.674649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.674649 (E_RNA)
where:
Base-Base interactions energy: -448.515
where: short stacking energy: -198.077
Base-Backbone interact. energy: 1.371
local terms energy: -223.530557
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -46.126
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -42.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -425.513198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.513198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.513198 (E_RNA)
where:
Base-Base interactions energy: -243.197
where: short stacking energy: -123.752
Base-Backbone interact. energy: -1.200
local terms energy: -181.116417
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -22.864
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: 237
Temperature: 1.350000
Total energy: -294.629104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.629104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.629104 (E_RNA)
where:
Base-Base interactions energy: -127.277
where: short stacking energy: -81.959
Base-Backbone interact. energy: -2.183
local terms energy: -165.168897
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -43.241
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -960.677596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.677596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.677596 (E_RNA)
where:
Base-Base interactions energy: -669.880
where: short stacking energy: -287.944
Base-Backbone interact. energy: -1.310
local terms energy: -289.487657
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: -79.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -921.324073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.324073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.324073 (E_RNA)
where:
Base-Base interactions energy: -640.789
where: short stacking energy: -272.311
Base-Backbone interact. energy: -1.847
local terms energy: -278.688194
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -81.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -872.038231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.038231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.038231 (E_RNA)
where:
Base-Base interactions energy: -602.800
where: short stacking energy: -266.559
Base-Backbone interact. energy: -0.190
local terms energy: -269.047661
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -83.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -867.365944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.365944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.365944 (E_RNA)
where:
Base-Base interactions energy: -605.498
where: short stacking energy: -258.585
Base-Backbone interact. energy: -1.215
local terms energy: -260.652908
where:
bonds (distance) C4'-P energy: -49.787
bonds (distance) P-C4' energy: -46.518
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -68.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -839.214178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.214178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.214178 (E_RNA)
where:
Base-Base interactions energy: -583.209
where: short stacking energy: -254.296
Base-Backbone interact. energy: -0.660
local terms energy: -255.345667
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -46.363
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -75.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -800.320702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.320702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.320702 (E_RNA)
where:
Base-Base interactions energy: -566.916
where: short stacking energy: -235.335
Base-Backbone interact. energy: -0.799
local terms energy: -232.606405
where:
bonds (distance) C4'-P energy: -43.313
bonds (distance) P-C4' energy: -42.454
flat angles C4'-P-C4' energy: -43.759
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -67.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -698.046345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.046345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.046345 (E_RNA)
where:
Base-Base interactions energy: -475.247
where: short stacking energy: -202.772
Base-Backbone interact. energy: 0.408
local terms energy: -223.208072
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -53.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -655.589845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.589845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.589845 (E_RNA)
where:
Base-Base interactions energy: -448.169
where: short stacking energy: -194.094
Base-Backbone interact. energy: -0.645
local terms energy: -206.775290
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -49.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -423.308957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.308957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.308957 (E_RNA)
where:
Base-Base interactions energy: -248.971
where: short stacking energy: -137.826
Base-Backbone interact. energy: -1.107
local terms energy: -173.231754
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -17.015
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: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -276.496439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.496439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.496439 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -81.870
Base-Backbone interact. energy: 1.184
local terms energy: -163.193415
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -50.579
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -9.079
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: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -963.743827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.743827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.743827 (E_RNA)
where:
Base-Base interactions energy: -669.527
where: short stacking energy: -283.460
Base-Backbone interact. energy: -1.256
local terms energy: -292.960929
where:
bonds (distance) C4'-P energy: -42.674
bonds (distance) P-C4' energy: -52.047
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -49.369
tors. eta vs tors. theta energy: -86.455
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -934.355710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.355710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.355710 (E_RNA)
where:
Base-Base interactions energy: -641.287
where: short stacking energy: -264.744
Base-Backbone interact. energy: -1.832
local terms energy: -291.236945
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -77.943
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: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -869.528575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.528575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.528575 (E_RNA)
where:
Base-Base interactions energy: -602.963
where: short stacking energy: -272.908
Base-Backbone interact. energy: -0.551
local terms energy: -266.014489
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -57.125
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -77.651
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: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -861.285260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.285260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.285260 (E_RNA)
where:
Base-Base interactions energy: -595.407
where: short stacking energy: -268.573
Base-Backbone interact. energy: -0.615
local terms energy: -265.262580
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -52.909
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -73.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -816.077414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.077414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.077414 (E_RNA)
where:
Base-Base interactions energy: -556.987
where: short stacking energy: -242.823
Base-Backbone interact. energy: -0.656
local terms energy: -258.434359
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -52.077
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -68.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -805.207848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.207848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.207848 (E_RNA)
where:
Base-Base interactions energy: -560.899
where: short stacking energy: -232.050
Base-Backbone interact. energy: -1.086
local terms energy: -243.222111
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -67.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -694.414980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.414980 (E_RNA)
where:
Base-Base interactions energy: -461.518
where: short stacking energy: -215.024
Base-Backbone interact. energy: -0.763
local terms energy: -232.134413
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -47.067
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -32.517
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: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -645.149530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.149530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.149530 (E_RNA)
where:
Base-Base interactions energy: -439.436
where: short stacking energy: -196.544
Base-Backbone interact. energy: -2.464
local terms energy: -203.248594
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -43.526
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -51.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -430.134561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.134561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.134561 (E_RNA)
where:
Base-Base interactions energy: -236.428
where: short stacking energy: -126.873
Base-Backbone interact. energy: -0.740
local terms energy: -192.966796
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -44.828
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -219.646541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646541 (E_RNA)
where:
Base-Base interactions energy: -65.783
where: short stacking energy: -54.960
Base-Backbone interact. energy: 4.468
local terms energy: -158.332345
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -45.384
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: 6.142
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: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -972.940051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.940051 (E_RNA)
where:
Base-Base interactions energy: -662.402
where: short stacking energy: -293.144
Base-Backbone interact. energy: -0.623
local terms energy: -309.914548
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -67.457
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -84.412
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: 240
Temperature: 0.950000
Total energy: -939.084812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.084812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.084812 (E_RNA)
where:
Base-Base interactions energy: -652.680
where: short stacking energy: -279.114
Base-Backbone interact. energy: -0.328
local terms energy: -286.076942
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -51.367
flat angles C4'-P-C4' energy: -62.618
flat angles P-C4'-P energy: -39.689
tors. eta vs tors. theta energy: -83.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -890.735106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.735106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.735106 (E_RNA)
where:
Base-Base interactions energy: -605.803
where: short stacking energy: -273.386
Base-Backbone interact. energy: -0.326
local terms energy: -284.605554
where:
bonds (distance) C4'-P energy: -58.702
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -54.075
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -79.078
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: 240
Temperature: 1.050000
Total energy: -830.642128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.642128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.642128 (E_RNA)
where:
Base-Base interactions energy: -573.737
where: short stacking energy: -245.774
Base-Backbone interact. energy: -0.307
local terms energy: -256.597951
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -68.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -819.936345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.936345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.936345 (E_RNA)
where:
Base-Base interactions energy: -556.130
where: short stacking energy: -239.156
Base-Backbone interact. energy: -2.344
local terms energy: -261.462859
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -49.900
flat angles C4'-P-C4' energy: -60.280
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -65.973
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: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -773.651765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.651765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.651765 (E_RNA)
where:
Base-Base interactions energy: -532.358
where: short stacking energy: -229.443
Base-Backbone interact. energy: -0.304
local terms energy: -240.989669
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -68.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -702.619523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.619523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.619523 (E_RNA)
where:
Base-Base interactions energy: -472.882
where: short stacking energy: -209.532
Base-Backbone interact. energy: -0.995
local terms energy: -228.743083
where:
bonds (distance) C4'-P energy: -44.552
bonds (distance) P-C4' energy: -51.749
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -52.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -668.606311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.606311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.606311 (E_RNA)
where:
Base-Base interactions energy: -462.316
where: short stacking energy: -185.944
Base-Backbone interact. energy: -0.799
local terms energy: -205.491822
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -35.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -428.454691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.454691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.454691 (E_RNA)
where:
Base-Base interactions energy: -260.355
where: short stacking energy: -134.779
Base-Backbone interact. energy: 1.053
local terms energy: -169.152930
where:
bonds (distance) C4'-P energy: -44.285
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -22.268
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: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -231.598554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.598554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.598554 (E_RNA)
where:
Base-Base interactions energy: -83.368
where: short stacking energy: -70.761
Base-Backbone interact. energy: -0.778
local terms energy: -147.452509
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -51.924
flat angles C4'-P-C4' energy: -32.904
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -0.705
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: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -967.785491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.785491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.785491 (E_RNA)
where:
Base-Base interactions energy: -666.775
where: short stacking energy: -277.485
Base-Backbone interact. energy: -1.228
local terms energy: -299.782974
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: -83.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -935.097165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.097165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.097165 (E_RNA)
where:
Base-Base interactions energy: -650.418
where: short stacking energy: -271.711
Base-Backbone interact. energy: -1.162
local terms energy: -283.517294
where:
bonds (distance) C4'-P energy: -48.204
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -63.068
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -80.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -879.938372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.938372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.938372 (E_RNA)
where:
Base-Base interactions energy: -607.599
where: short stacking energy: -281.924
Base-Backbone interact. energy: -0.907
local terms energy: -271.432725
where:
bonds (distance) C4'-P energy: -47.895
bonds (distance) P-C4' energy: -44.356
flat angles C4'-P-C4' energy: -46.046
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -85.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -843.067749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.067749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.067749 (E_RNA)
where:
Base-Base interactions energy: -590.716
where: short stacking energy: -255.350
Base-Backbone interact. energy: -0.397
local terms energy: -251.954411
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -56.614
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -64.501
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: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -803.532869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.532869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.532869 (E_RNA)
where:
Base-Base interactions energy: -555.386
where: short stacking energy: -227.606
Base-Backbone interact. energy: -0.896
local terms energy: -247.251365
where:
bonds (distance) C4'-P energy: -51.582
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -57.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -797.277022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.277022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.277022 (E_RNA)
where:
Base-Base interactions energy: -530.698
where: short stacking energy: -243.724
Base-Backbone interact. energy: -0.122
local terms energy: -266.456484
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -71.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -686.002690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.002690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.002690 (E_RNA)
where:
Base-Base interactions energy: -458.011
where: short stacking energy: -190.493
Base-Backbone interact. energy: -0.309
local terms energy: -227.682997
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -34.253
tors. eta vs tors. theta energy: -53.371
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: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -677.441685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.441685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.441685 (E_RNA)
where:
Base-Base interactions energy: -458.636
where: short stacking energy: -192.478
Base-Backbone interact. energy: -0.508
local terms energy: -218.297378
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -45.401
flat angles C4'-P-C4' energy: -47.013
flat angles P-C4'-P energy: -34.412
tors. eta vs tors. theta energy: -45.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -421.891587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.891587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.891587 (E_RNA)
where:
Base-Base interactions energy: -243.956
where: short stacking energy: -105.722
Base-Backbone interact. energy: 0.418
local terms energy: -178.353643
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -9.478
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: 241
Temperature: 1.350000
Total energy: -224.092990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.092990 (E_RNA)
where:
Base-Base interactions energy: -74.078
where: short stacking energy: -61.292
Base-Backbone interact. energy: -1.207
local terms energy: -148.808174
where:
bonds (distance) C4'-P energy: -44.087
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -1.243
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: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -959.402926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.402926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.402926 (E_RNA)
where:
Base-Base interactions energy: -675.832
where: short stacking energy: -292.638
Base-Backbone interact. energy: -1.226
local terms energy: -282.345422
where:
bonds (distance) C4'-P energy: -47.802
bonds (distance) P-C4' energy: -51.609
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -41.871
tors. eta vs tors. theta energy: -79.223
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: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -965.884640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.884640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.884640 (E_RNA)
where:
Base-Base interactions energy: -684.338
where: short stacking energy: -290.701
Base-Backbone interact. energy: 0.166
local terms energy: -281.713039
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -47.301
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -46.775
tors. eta vs tors. theta energy: -84.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -888.160551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.160551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.160551 (E_RNA)
where:
Base-Base interactions energy: -607.821
where: short stacking energy: -268.212
Base-Backbone interact. energy: -2.016
local terms energy: -278.323396
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -60.297
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -80.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -860.693889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.693889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.693889 (E_RNA)
where:
Base-Base interactions energy: -595.489
where: short stacking energy: -267.435
Base-Backbone interact. energy: -0.453
local terms energy: -264.752613
where:
bonds (distance) C4'-P energy: -44.713
bonds (distance) P-C4' energy: -49.166
flat angles C4'-P-C4' energy: -56.220
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -76.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -800.000802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.000802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.000802 (E_RNA)
where:
Base-Base interactions energy: -543.344
where: short stacking energy: -243.289
Base-Backbone interact. energy: -0.563
local terms energy: -256.093660
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -34.460
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -785.380022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.380022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.380022 (E_RNA)
where:
Base-Base interactions energy: -544.184
where: short stacking energy: -244.775
Base-Backbone interact. energy: -0.998
local terms energy: -240.198448
where:
bonds (distance) C4'-P energy: -44.072
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -67.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -714.970574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.970574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.970574 (E_RNA)
where:
Base-Base interactions energy: -475.180
where: short stacking energy: -201.586
Base-Backbone interact. energy: -2.091
local terms energy: -237.699325
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -686.283498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.283498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.283498 (E_RNA)
where:
Base-Base interactions energy: -443.786
where: short stacking energy: -195.840
Base-Backbone interact. energy: -1.393
local terms energy: -241.104308
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -51.611
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -48.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -403.607979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.607979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.607979 (E_RNA)
where:
Base-Base interactions energy: -233.004
where: short stacking energy: -116.171
Base-Backbone interact. energy: 0.742
local terms energy: -171.346690
where:
bonds (distance) C4'-P energy: -44.568
bonds (distance) P-C4' energy: -38.760
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -238.907516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.907516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.907516 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.049
local terms energy: -157.765140
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -52.664
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: 4.026
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: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -952.547186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.547186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.547186 (E_RNA)
where:
Base-Base interactions energy: -654.125
where: short stacking energy: -284.536
Base-Backbone interact. energy: 0.587
local terms energy: -299.008390
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -65.060
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -85.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -963.422041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.422041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.422041 (E_RNA)
where:
Base-Base interactions energy: -665.238
where: short stacking energy: -277.839
Base-Backbone interact. energy: 0.966
local terms energy: -299.150815
where:
bonds (distance) C4'-P energy: -58.142
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -63.140
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -89.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -878.810458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.810458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.810458 (E_RNA)
where:
Base-Base interactions energy: -601.786
where: short stacking energy: -261.842
Base-Backbone interact. energy: -0.478
local terms energy: -276.547219
where:
bonds (distance) C4'-P energy: -41.041
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -46.708
tors. eta vs tors. theta energy: -78.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -860.903741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.903741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.903741 (E_RNA)
where:
Base-Base interactions energy: -593.990
where: short stacking energy: -248.820
Base-Backbone interact. energy: 0.267
local terms energy: -267.180036
where:
bonds (distance) C4'-P energy: -46.056
bonds (distance) P-C4' energy: -52.755
flat angles C4'-P-C4' energy: -52.355
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -67.855
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -815.120237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.120237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.120237 (E_RNA)
where:
Base-Base interactions energy: -552.768
where: short stacking energy: -248.940
Base-Backbone interact. energy: 0.017
local terms energy: -262.368914
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -70.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -787.520162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.520162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.520162 (E_RNA)
where:
Base-Base interactions energy: -556.057
where: short stacking energy: -235.556
Base-Backbone interact. energy: -0.155
local terms energy: -231.307550
where:
bonds (distance) C4'-P energy: -35.746
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -30.538
tors. eta vs tors. theta energy: -64.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -721.575788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.575788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.575788 (E_RNA)
where:
Base-Base interactions energy: -490.285
where: short stacking energy: -211.151
Base-Backbone interact. energy: -0.987
local terms energy: -230.303819
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -44.513
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -54.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -661.685166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.685166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.685166 (E_RNA)
where:
Base-Base interactions energy: -438.066
where: short stacking energy: -188.557
Base-Backbone interact. energy: -1.235
local terms energy: -222.385017
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -60.378
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -32.823
tors. eta vs tors. theta energy: -52.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -428.294995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.294995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.294995 (E_RNA)
where:
Base-Base interactions energy: -252.188
where: short stacking energy: -133.368
Base-Backbone interact. energy: 6.018
local terms energy: -182.124621
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -42.547
flat angles C4'-P-C4' energy: -39.121
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -28.807
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: 243
Temperature: 1.350000
Total energy: -233.678279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.678279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.678279 (E_RNA)
where:
Base-Base interactions energy: -81.993
where: short stacking energy: -64.733
Base-Backbone interact. energy: -2.816
local terms energy: -148.869276
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -39.989
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -964.014824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.014824 (E_RNA)
where:
Base-Base interactions energy: -654.034
where: short stacking energy: -273.798
Base-Backbone interact. energy: -1.563
local terms energy: -308.418216
where:
bonds (distance) C4'-P energy: -53.693
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -48.361
tors. eta vs tors. theta energy: -80.256
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: 244
Temperature: 0.950000
Total energy: -976.641588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.641588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.641588 (E_RNA)
where:
Base-Base interactions energy: -680.827
where: short stacking energy: -295.180
Base-Backbone interact. energy: -0.379
local terms energy: -295.435721
where:
bonds (distance) C4'-P energy: -52.795
bonds (distance) P-C4' energy: -48.193
flat angles C4'-P-C4' energy: -61.889
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: -86.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -869.942148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.942148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.942148 (E_RNA)
where:
Base-Base interactions energy: -600.960
where: short stacking energy: -268.212
Base-Backbone interact. energy: -0.939
local terms energy: -268.043661
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -56.699
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -81.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -868.983151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.983151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.983151 (E_RNA)
where:
Base-Base interactions energy: -591.462
where: short stacking energy: -282.030
Base-Backbone interact. energy: -0.116
local terms energy: -277.405623
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -79.592
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: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -813.607393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.607393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.607393 (E_RNA)
where:
Base-Base interactions energy: -557.430
where: short stacking energy: -241.212
Base-Backbone interact. energy: -0.429
local terms energy: -255.748928
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -77.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -800.492111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.492111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.492111 (E_RNA)
where:
Base-Base interactions energy: -549.721
where: short stacking energy: -231.651
Base-Backbone interact. energy: -0.679
local terms energy: -250.092336
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -68.988
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: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -759.217225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.217225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.217225 (E_RNA)
where:
Base-Base interactions energy: -520.459
where: short stacking energy: -227.776
Base-Backbone interact. energy: -1.565
local terms energy: -237.193167
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -40.951
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -697.896104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.896104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.896104 (E_RNA)
where:
Base-Base interactions energy: -484.496
where: short stacking energy: -213.671
Base-Backbone interact. energy: -0.720
local terms energy: -212.679705
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: -63.431
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: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -411.905614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.905614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.905614 (E_RNA)
where:
Base-Base interactions energy: -234.843
where: short stacking energy: -107.313
Base-Backbone interact. energy: -1.171
local terms energy: -175.891816
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -251.215439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.215439 (E_RNA)
where:
Base-Base interactions energy: -101.826
where: short stacking energy: -72.095
Base-Backbone interact. energy: -1.064
local terms energy: -148.325952
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -45.998
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -2.934
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -954.878343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.878343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.878343 (E_RNA)
where:
Base-Base interactions energy: -661.456
where: short stacking energy: -282.656
Base-Backbone interact. energy: -1.470
local terms energy: -291.952720
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -65.559
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -964.826426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.826426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.826426 (E_RNA)
where:
Base-Base interactions energy: -682.108
where: short stacking energy: -280.031
Base-Backbone interact. energy: -2.289
local terms energy: -280.429388
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -49.639
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -86.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -875.434151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.434151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.434151 (E_RNA)
where:
Base-Base interactions energy: -591.760
where: short stacking energy: -263.526
Base-Backbone interact. energy: -1.067
local terms energy: -282.607198
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -74.464
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -850.889374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.889374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.889374 (E_RNA)
where:
Base-Base interactions energy: -581.028
where: short stacking energy: -251.825
Base-Backbone interact. energy: -1.036
local terms energy: -268.825195
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -59.100
flat angles P-C4'-P energy: -40.408
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -840.976969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.976969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.976969 (E_RNA)
where:
Base-Base interactions energy: -591.873
where: short stacking energy: -256.720
Base-Backbone interact. energy: -0.689
local terms energy: -248.414979
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -58.979
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -63.326
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -794.419035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.419035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.419035 (E_RNA)
where:
Base-Base interactions energy: -550.245
where: short stacking energy: -234.423
Base-Backbone interact. energy: -0.956
local terms energy: -243.217635
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -48.763
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -64.495
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: 245
Temperature: 1.200000
Total energy: -737.203523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.203523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.203523 (E_RNA)
where:
Base-Base interactions energy: -493.390
where: short stacking energy: -212.451
Base-Backbone interact. energy: 0.621
local terms energy: -244.433558
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -60.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -705.423550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.423550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.423550 (E_RNA)
where:
Base-Base interactions energy: -467.875
where: short stacking energy: -196.506
Base-Backbone interact. energy: -0.572
local terms energy: -236.976414
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -43.488
flat angles C4'-P-C4' energy: -52.004
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -58.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -380.334377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.334377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.334377 (E_RNA)
where:
Base-Base interactions energy: -204.965
where: short stacking energy: -102.156
Base-Backbone interact. energy: -3.124
local terms energy: -172.246128
where:
bonds (distance) C4'-P energy: -39.507
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -13.146
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: 245
Temperature: 1.350000
Total energy: -238.918339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918339 (E_RNA)
where:
Base-Base interactions energy: -87.055
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.695
local terms energy: -151.168348
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: 11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -979.421356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.421356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.421356 (E_RNA)
where:
Base-Base interactions energy: -674.651
where: short stacking energy: -291.585
Base-Backbone interact. energy: -0.477
local terms energy: -304.293601
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -49.651
tors. eta vs tors. theta energy: -86.482
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -962.855240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.855240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.855240 (E_RNA)
where:
Base-Base interactions energy: -669.009
where: short stacking energy: -279.240
Base-Backbone interact. energy: -1.340
local terms energy: -292.506229
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -82.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -879.755240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.755240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.755240 (E_RNA)
where:
Base-Base interactions energy: -614.247
where: short stacking energy: -253.987
Base-Backbone interact. energy: -0.259
local terms energy: -265.249417
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -71.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -840.120598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.120598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.120598 (E_RNA)
where:
Base-Base interactions energy: -572.640
where: short stacking energy: -249.318
Base-Backbone interact. energy: -0.523
local terms energy: -266.957249
where:
bonds (distance) C4'-P energy: -51.608
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -71.412
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: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -850.363345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.363345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.363345 (E_RNA)
where:
Base-Base interactions energy: -589.341
where: short stacking energy: -248.058
Base-Backbone interact. energy: -1.307
local terms energy: -259.715453
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -46.323
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: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -803.804392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.804392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.804392 (E_RNA)
where:
Base-Base interactions energy: -561.511
where: short stacking energy: -249.428
Base-Backbone interact. energy: -1.346
local terms energy: -240.947481
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -50.219
flat angles C4'-P-C4' energy: -42.135
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -65.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -783.253199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.253199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.253199 (E_RNA)
where:
Base-Base interactions energy: -531.455
where: short stacking energy: -235.652
Base-Backbone interact. energy: -0.285
local terms energy: -251.512808
where:
bonds (distance) C4'-P energy: -40.586
bonds (distance) P-C4' energy: -52.305
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -63.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -660.061851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.061851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.061851 (E_RNA)
where:
Base-Base interactions energy: -447.151
where: short stacking energy: -205.053
Base-Backbone interact. energy: -0.796
local terms energy: -212.115080
where:
bonds (distance) C4'-P energy: -38.212
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -47.796
flat angles P-C4'-P energy: -34.226
tors. eta vs tors. theta energy: -55.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -403.009766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.009766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.009766 (E_RNA)
where:
Base-Base interactions energy: -231.853
where: short stacking energy: -109.429
Base-Backbone interact. energy: -0.422
local terms energy: -170.734800
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -47.209
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -11.785
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: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -218.299189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.299189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.299189 (E_RNA)
where:
Base-Base interactions energy: -91.853
where: short stacking energy: -63.518
Base-Backbone interact. energy: 0.991
local terms energy: -127.437354
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: 6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -972.035878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.035878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.035878 (E_RNA)
where:
Base-Base interactions energy: -668.782
where: short stacking energy: -287.547
Base-Backbone interact. energy: -1.345
local terms energy: -301.908738
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -57.182
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -91.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -947.079576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.079576 (E_RNA)
where:
Base-Base interactions energy: -648.624
where: short stacking energy: -277.137
Base-Backbone interact. energy: -0.908
local terms energy: -297.547420
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -85.744
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: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -893.403321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.403321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.403321 (E_RNA)
where:
Base-Base interactions energy: -616.703
where: short stacking energy: -275.979
Base-Backbone interact. energy: 1.000
local terms energy: -277.700293
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -75.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -830.096207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.096207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.096207 (E_RNA)
where:
Base-Base interactions energy: -578.983
where: short stacking energy: -254.483
Base-Backbone interact. energy: -1.172
local terms energy: -249.941648
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -69.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -842.546896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.546896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.546896 (E_RNA)
where:
Base-Base interactions energy: -612.008
where: short stacking energy: -254.590
Base-Backbone interact. energy: 0.330
local terms energy: -230.869197
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -69.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -807.875937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.875937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.875937 (E_RNA)
where:
Base-Base interactions energy: -562.650
where: short stacking energy: -242.965
Base-Backbone interact. energy: -0.290
local terms energy: -244.936719
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -74.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -749.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.150460 (E_RNA)
where:
Base-Base interactions energy: -514.820
where: short stacking energy: -213.868
Base-Backbone interact. energy: -2.489
local terms energy: -231.841995
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -54.663
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -654.457008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.457008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.457008 (E_RNA)
where:
Base-Base interactions energy: -443.030
where: short stacking energy: -185.232
Base-Backbone interact. energy: -0.984
local terms energy: -210.443275
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -50.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -421.729000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.729000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.729000 (E_RNA)
where:
Base-Base interactions energy: -260.288
where: short stacking energy: -119.282
Base-Backbone interact. energy: -0.985
local terms energy: -160.455762
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -20.989
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: 247
Temperature: 1.350000
Total energy: -231.086956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086956 (E_RNA)
where:
Base-Base interactions energy: -88.333
where: short stacking energy: -73.135
Base-Backbone interact. energy: 2.948
local terms energy: -145.701425
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -45.675
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: 3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -980.887907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.887907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.887907 (E_RNA)
where:
Base-Base interactions energy: -676.015
where: short stacking energy: -300.585
Base-Backbone interact. energy: -0.941
local terms energy: -303.931812
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -62.489
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: -88.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -932.438407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.438407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.438407 (E_RNA)
where:
Base-Base interactions energy: -645.557
where: short stacking energy: -268.558
Base-Backbone interact. energy: -0.296
local terms energy: -286.585435
where:
bonds (distance) C4'-P energy: -58.506
bonds (distance) P-C4' energy: -51.309
flat angles C4'-P-C4' energy: -53.417
flat angles P-C4'-P energy: -38.071
tors. eta vs tors. theta energy: -85.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -881.711503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.711503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.711503 (E_RNA)
where:
Base-Base interactions energy: -617.537
where: short stacking energy: -270.296
Base-Backbone interact. energy: 4.485
local terms energy: -268.659166
where:
bonds (distance) C4'-P energy: -52.679
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -70.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -841.502776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.502776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.502776 (E_RNA)
where:
Base-Base interactions energy: -571.294
where: short stacking energy: -250.188
Base-Backbone interact. energy: 1.000
local terms energy: -271.208741
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -78.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -853.598007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.598007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.598007 (E_RNA)
where:
Base-Base interactions energy: -584.658
where: short stacking energy: -259.290
Base-Backbone interact. energy: -1.219
local terms energy: -267.720207
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -53.252
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -785.411561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.411561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.411561 (E_RNA)
where:
Base-Base interactions energy: -536.782
where: short stacking energy: -232.137
Base-Backbone interact. energy: 2.532
local terms energy: -251.161695
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -51.790
flat angles C4'-P-C4' energy: -54.934
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -64.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -724.021990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.021990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.021990 (E_RNA)
where:
Base-Base interactions energy: -499.610
where: short stacking energy: -205.165
Base-Backbone interact. energy: -0.824
local terms energy: -223.587374
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -57.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -674.994736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.994736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.994736 (E_RNA)
where:
Base-Base interactions energy: -458.466
where: short stacking energy: -196.800
Base-Backbone interact. energy: -0.948
local terms energy: -215.580983
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -46.940
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -49.438
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: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -390.859658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.859658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.859658 (E_RNA)
where:
Base-Base interactions energy: -236.870
where: short stacking energy: -113.672
Base-Backbone interact. energy: -1.054
local terms energy: -152.935396
where:
bonds (distance) C4'-P energy: -48.752
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -224.697496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.697496 (E_RNA)
where:
Base-Base interactions energy: -75.771
where: short stacking energy: -66.920
Base-Backbone interact. energy: 2.943
local terms energy: -151.869227
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: 2.510
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: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -954.835637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.835637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.835637 (E_RNA)
where:
Base-Base interactions energy: -665.944
where: short stacking energy: -282.788
Base-Backbone interact. energy: -0.737
local terms energy: -288.154782
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -943.851814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.851814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.851814 (E_RNA)
where:
Base-Base interactions energy: -648.541
where: short stacking energy: -285.424
Base-Backbone interact. energy: -0.256
local terms energy: -295.053870
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -87.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -867.204897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.204897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.204897 (E_RNA)
where:
Base-Base interactions energy: -599.881
where: short stacking energy: -263.804
Base-Backbone interact. energy: -0.792
local terms energy: -266.531740
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -47.833
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -77.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -847.153239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.153239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.153239 (E_RNA)
where:
Base-Base interactions energy: -595.224
where: short stacking energy: -260.708
Base-Backbone interact. energy: 1.077
local terms energy: -253.006395
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -52.406
flat angles P-C4'-P energy: -42.788
tors. eta vs tors. theta energy: -68.631
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: 249
Temperature: 1.100000
Total energy: -820.436393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.436393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.436393 (E_RNA)
where:
Base-Base interactions energy: -573.914
where: short stacking energy: -241.022
Base-Backbone interact. energy: 0.113
local terms energy: -246.635016
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -57.724
flat angles P-C4'-P energy: -30.967
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -738.512180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.512180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.512180 (E_RNA)
where:
Base-Base interactions energy: -501.870
where: short stacking energy: -219.740
Base-Backbone interact. energy: -0.106
local terms energy: -236.536396
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -57.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -787.316102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.316102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.316102 (E_RNA)
where:
Base-Base interactions energy: -537.628
where: short stacking energy: -230.797
Base-Backbone interact. energy: -0.515
local terms energy: -249.173150
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -42.559
flat angles C4'-P-C4' energy: -49.975
flat angles P-C4'-P energy: -32.621
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: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -701.789772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.789772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.789772 (E_RNA)
where:
Base-Base interactions energy: -472.648
where: short stacking energy: -206.571
Base-Backbone interact. energy: 2.032
local terms energy: -231.173216
where:
bonds (distance) C4'-P energy: -42.934
bonds (distance) P-C4' energy: -51.205
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -49.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -414.162273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.162273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.162273 (E_RNA)
where:
Base-Base interactions energy: -244.906
where: short stacking energy: -125.905
Base-Backbone interact. energy: 1.687
local terms energy: -170.943488
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -215.294201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.294201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.294201 (E_RNA)
where:
Base-Base interactions energy: -78.887
where: short stacking energy: -70.574
Base-Backbone interact. energy: 3.570
local terms energy: -139.977042
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -43.019
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -970.456595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.456595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.456595 (E_RNA)
where:
Base-Base interactions energy: -657.051
where: short stacking energy: -290.731
Base-Backbone interact. energy: -1.395
local terms energy: -312.010272
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -65.550
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -87.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -931.090424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.090424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.090424 (E_RNA)
where:
Base-Base interactions energy: -634.877
where: short stacking energy: -278.135
Base-Backbone interact. energy: -1.024
local terms energy: -295.189406
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -82.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -871.676517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.676517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.676517 (E_RNA)
where:
Base-Base interactions energy: -589.448
where: short stacking energy: -264.888
Base-Backbone interact. energy: 0.457
local terms energy: -282.685356
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -82.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -853.374666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.374666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.374666 (E_RNA)
where:
Base-Base interactions energy: -575.513
where: short stacking energy: -258.279
Base-Backbone interact. energy: 2.235
local terms energy: -280.097395
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -51.681
flat angles C4'-P-C4' energy: -64.402
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: -74.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -798.716351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.716351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.716351 (E_RNA)
where:
Base-Base interactions energy: -557.433
where: short stacking energy: -233.988
Base-Backbone interact. energy: -0.070
local terms energy: -241.213321
where:
bonds (distance) C4'-P energy: -48.837
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -53.058
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -67.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -739.990107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.990107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.990107 (E_RNA)
where:
Base-Base interactions energy: -520.325
where: short stacking energy: -222.837
Base-Backbone interact. energy: -0.661
local terms energy: -219.004535
where:
bonds (distance) C4'-P energy: -30.482
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -43.687
flat angles P-C4'-P energy: -36.877
tors. eta vs tors. theta energy: -56.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -789.872936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.872936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.872936 (E_RNA)
where:
Base-Base interactions energy: -549.082
where: short stacking energy: -239.172
Base-Backbone interact. energy: -1.784
local terms energy: -239.006823
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -54.313
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -66.482
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: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -660.437899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.437899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.437899 (E_RNA)
where:
Base-Base interactions energy: -446.891
where: short stacking energy: -193.696
Base-Backbone interact. energy: 4.177
local terms energy: -217.724276
where:
bonds (distance) C4'-P energy: -47.261
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -46.832
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -407.731686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.731686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.731686 (E_RNA)
where:
Base-Base interactions energy: -250.238
where: short stacking energy: -121.687
Base-Backbone interact. energy: -0.870
local terms energy: -156.623888
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -230.149716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.149716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.149716 (E_RNA)
where:
Base-Base interactions energy: -80.354
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.828
local terms energy: -148.967937
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -56.428
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: 15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -972.114577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.114577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.114577 (E_RNA)
where:
Base-Base interactions energy: -679.759
where: short stacking energy: -285.603
Base-Backbone interact. energy: -1.545
local terms energy: -290.810517
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -54.762
flat angles C4'-P-C4' energy: -55.390
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -86.914
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -936.910516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.910516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.910516 (E_RNA)
where:
Base-Base interactions energy: -645.117
where: short stacking energy: -277.451
Base-Backbone interact. energy: -0.628
local terms energy: -291.165844
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -84.968
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: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -894.456866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.456866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.456866 (E_RNA)
where:
Base-Base interactions energy: -621.732
where: short stacking energy: -269.065
Base-Backbone interact. energy: -0.800
local terms energy: -271.924594
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -49.642
flat angles C4'-P-C4' energy: -57.498
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -78.796
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: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -866.639111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.639111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.639111 (E_RNA)
where:
Base-Base interactions energy: -587.292
where: short stacking energy: -248.382
Base-Backbone interact. energy: -0.645
local terms energy: -278.701713
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -59.551
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -74.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -816.709725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.709725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.709725 (E_RNA)
where:
Base-Base interactions energy: -563.732
where: short stacking energy: -237.998
Base-Backbone interact. energy: -0.645
local terms energy: -252.333009
where:
bonds (distance) C4'-P energy: -43.863
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -67.383
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: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -769.832186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.832186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.832186 (E_RNA)
where:
Base-Base interactions energy: -519.977
where: short stacking energy: -219.321
Base-Backbone interact. energy: 0.020
local terms energy: -249.874972
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -45.830
flat angles C4'-P-C4' energy: -57.621
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -59.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -802.192717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.192717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.192717 (E_RNA)
where:
Base-Base interactions energy: -552.938
where: short stacking energy: -234.768
Base-Backbone interact. energy: 2.031
local terms energy: -251.285936
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -67.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -690.940840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.940840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.940840 (E_RNA)
where:
Base-Base interactions energy: -456.936
where: short stacking energy: -199.421
Base-Backbone interact. energy: -0.535
local terms energy: -233.469365
where:
bonds (distance) C4'-P energy: -50.879
bonds (distance) P-C4' energy: -41.395
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -51.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -458.489787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.489787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.489787 (E_RNA)
where:
Base-Base interactions energy: -283.346
where: short stacking energy: -125.810
Base-Backbone interact. energy: -0.831
local terms energy: -174.313145
where:
bonds (distance) C4'-P energy: -49.688
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -27.768
tors. eta vs tors. theta energy: -19.856
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -219.509836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.509836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.509836 (E_RNA)
where:
Base-Base interactions energy: -69.764
where: short stacking energy: -52.718
Base-Backbone interact. energy: -1.422
local terms energy: -148.324106
where:
bonds (distance) C4'-P energy: -47.880
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -954.916011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.916011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.916011 (E_RNA)
where:
Base-Base interactions energy: -663.978
where: short stacking energy: -277.522
Base-Backbone interact. energy: 1.906
local terms energy: -292.844185
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -60.402
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -86.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -949.790364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.790364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.790364 (E_RNA)
where:
Base-Base interactions energy: -640.630
where: short stacking energy: -265.557
Base-Backbone interact. energy: -1.742
local terms energy: -307.418704
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -56.874
flat angles C4'-P-C4' energy: -59.072
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -83.962
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: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -868.467386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.467386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.467386 (E_RNA)
where:
Base-Base interactions energy: -584.092
where: short stacking energy: -274.688
Base-Backbone interact. energy: 1.488
local terms energy: -285.863746
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -53.453
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -841.902744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.902744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.902744 (E_RNA)
where:
Base-Base interactions energy: -578.398
where: short stacking energy: -249.495
Base-Backbone interact. energy: -1.021
local terms energy: -262.483757
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -53.230
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -41.339
tors. eta vs tors. theta energy: -65.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -807.431268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.431268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.431268 (E_RNA)
where:
Base-Base interactions energy: -573.223
where: short stacking energy: -243.228
Base-Backbone interact. energy: -0.128
local terms energy: -234.079814
where:
bonds (distance) C4'-P energy: -41.482
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -52.308
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -61.445
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: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -754.995339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.995339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.995339 (E_RNA)
where:
Base-Base interactions energy: -520.395
where: short stacking energy: -219.158
Base-Backbone interact. energy: 0.012
local terms energy: -234.612203
where:
bonds (distance) C4'-P energy: -41.067
bonds (distance) P-C4' energy: -46.636
flat angles C4'-P-C4' energy: -49.503
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -61.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -771.810461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.810461 (E_RNA)
where:
Base-Base interactions energy: -540.449
where: short stacking energy: -232.920
Base-Backbone interact. energy: -0.648
local terms energy: -230.713952
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -45.663
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -66.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -676.157665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.157665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.157665 (E_RNA)
where:
Base-Base interactions energy: -448.519
where: short stacking energy: -202.187
Base-Backbone interact. energy: -0.441
local terms energy: -227.197528
where:
bonds (distance) C4'-P energy: -47.603
bonds (distance) P-C4' energy: -41.414
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -51.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -508.541866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.541866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.541866 (E_RNA)
where:
Base-Base interactions energy: -321.456
where: short stacking energy: -149.707
Base-Backbone interact. energy: 0.766
local terms energy: -187.851806
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -29.474
tors. eta vs tors. theta energy: -30.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -236.790012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.790012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.790012 (E_RNA)
where:
Base-Base interactions energy: -80.796
where: short stacking energy: -60.688
Base-Backbone interact. energy: 0.547
local terms energy: -156.540515
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -28.350
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: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -952.521960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.521960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.521960 (E_RNA)
where:
Base-Base interactions energy: -657.484
where: short stacking energy: -274.590
Base-Backbone interact. energy: 0.793
local terms energy: -295.830778
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -63.472
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -83.386
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -969.680640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.680640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.680640 (E_RNA)
where:
Base-Base interactions energy: -671.044
where: short stacking energy: -278.693
Base-Backbone interact. energy: -1.644
local terms energy: -296.992292
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -44.142
tors. eta vs tors. theta energy: -85.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -888.059652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.059652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.059652 (E_RNA)
where:
Base-Base interactions energy: -625.616
where: short stacking energy: -276.837
Base-Backbone interact. energy: 0.993
local terms energy: -263.436372
where:
bonds (distance) C4'-P energy: -52.677
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -76.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -849.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.653445 (E_RNA)
where:
Base-Base interactions energy: -578.326
where: short stacking energy: -251.718
Base-Backbone interact. energy: -0.937
local terms energy: -270.390467
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -68.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -814.875414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.875414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.875414 (E_RNA)
where:
Base-Base interactions energy: -558.355
where: short stacking energy: -230.772
Base-Backbone interact. energy: -0.289
local terms energy: -256.231501
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -48.504
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: -67.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -783.656616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.656616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.656616 (E_RNA)
where:
Base-Base interactions energy: -522.857
where: short stacking energy: -219.968
Base-Backbone interact. energy: -2.102
local terms energy: -258.697262
where:
bonds (distance) C4'-P energy: -51.343
bonds (distance) P-C4' energy: -52.039
flat angles C4'-P-C4' energy: -49.670
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -65.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -769.304673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.304673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.304673 (E_RNA)
where:
Base-Base interactions energy: -543.568
where: short stacking energy: -234.679
Base-Backbone interact. energy: -0.566
local terms energy: -225.170450
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -52.232
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -61.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -668.496407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.496407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.496407 (E_RNA)
where:
Base-Base interactions energy: -439.628
where: short stacking energy: -183.772
Base-Backbone interact. energy: 1.644
local terms energy: -230.512210
where:
bonds (distance) C4'-P energy: -39.398
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -49.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -535.973262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.973262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.973262 (E_RNA)
where:
Base-Base interactions energy: -348.161
where: short stacking energy: -138.215
Base-Backbone interact. energy: -1.144
local terms energy: -186.667642
where:
bonds (distance) C4'-P energy: -30.370
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -50.532
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -210.783914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.783914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.783914 (E_RNA)
where:
Base-Base interactions energy: -65.026
where: short stacking energy: -49.642
Base-Backbone interact. energy: -1.296
local terms energy: -144.461170
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -43.307
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: 7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -982.645425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.645425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.645425 (E_RNA)
where:
Base-Base interactions energy: -676.146
where: short stacking energy: -296.819
Base-Backbone interact. energy: -1.137
local terms energy: -305.362188
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -66.634
flat angles P-C4'-P energy: -49.028
tors. eta vs tors. theta energy: -89.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -954.411940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.411940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.411940 (E_RNA)
where:
Base-Base interactions energy: -658.827
where: short stacking energy: -293.839
Base-Backbone interact. energy: -0.902
local terms energy: -294.682892
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -92.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -868.046071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.046071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.046071 (E_RNA)
where:
Base-Base interactions energy: -596.679
where: short stacking energy: -239.734
Base-Backbone interact. energy: -0.752
local terms energy: -270.615758
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -41.035
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -43.366
tors. eta vs tors. theta energy: -71.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -837.667822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.667822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.667822 (E_RNA)
where:
Base-Base interactions energy: -566.910
where: short stacking energy: -236.189
Base-Backbone interact. energy: -0.522
local terms energy: -270.236026
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -55.143
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -70.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -837.143035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.143035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.143035 (E_RNA)
where:
Base-Base interactions energy: -581.766
where: short stacking energy: -239.379
Base-Backbone interact. energy: -1.614
local terms energy: -253.762704
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -47.633
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -35.478
tors. eta vs tors. theta energy: -70.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -775.495126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.495126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.495126 (E_RNA)
where:
Base-Base interactions energy: -534.235
where: short stacking energy: -218.595
Base-Backbone interact. energy: -0.430
local terms energy: -240.830335
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -55.231
flat angles P-C4'-P energy: -33.826
tors. eta vs tors. theta energy: -54.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -802.638337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.638337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.638337 (E_RNA)
where:
Base-Base interactions energy: -547.400
where: short stacking energy: -239.580
Base-Backbone interact. energy: -1.485
local terms energy: -253.753608
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -64.222
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -664.459578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.459578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.459578 (E_RNA)
where:
Base-Base interactions energy: -456.875
where: short stacking energy: -202.635
Base-Backbone interact. energy: -0.429
local terms energy: -207.155906
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -54.792
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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -594.213685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.213685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.213685 (E_RNA)
where:
Base-Base interactions energy: -376.862
where: short stacking energy: -174.922
Base-Backbone interact. energy: -1.190
local terms energy: -216.161518
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -48.288
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -43.807
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: 254
Temperature: 1.350000
Total energy: -219.421860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.421860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.421860 (E_RNA)
where:
Base-Base interactions energy: -89.230
where: short stacking energy: -78.312
Base-Backbone interact. energy: 2.676
local terms energy: -132.867652
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -30.361
tors. eta vs tors. theta energy: 7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -966.917555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.917555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.917555 (E_RNA)
where:
Base-Base interactions energy: -667.674
where: short stacking energy: -284.858
Base-Backbone interact. energy: -1.555
local terms energy: -297.688808
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -87.039
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: 255
Temperature: 0.950000
Total energy: -946.955955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.955955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.955955 (E_RNA)
where:
Base-Base interactions energy: -663.360
where: short stacking energy: -279.254
Base-Backbone interact. energy: 1.224
local terms energy: -284.820150
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -60.011
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -87.728
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: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -851.144021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.144021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.144021 (E_RNA)
where:
Base-Base interactions energy: -584.829
where: short stacking energy: -250.686
Base-Backbone interact. energy: -0.776
local terms energy: -265.539411
where:
bonds (distance) C4'-P energy: -48.541
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -75.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -851.513997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.513997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.513997 (E_RNA)
where:
Base-Base interactions energy: -582.616
where: short stacking energy: -250.251
Base-Backbone interact. energy: 0.730
local terms energy: -269.628043
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -56.640
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: -69.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -805.978508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.978508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.978508 (E_RNA)
where:
Base-Base interactions energy: -550.158
where: short stacking energy: -233.544
Base-Backbone interact. energy: -0.830
local terms energy: -254.990725
where:
bonds (distance) C4'-P energy: -57.592
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -63.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -767.002045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.002045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.002045 (E_RNA)
where:
Base-Base interactions energy: -517.335
where: short stacking energy: -201.629
Base-Backbone interact. energy: -0.954
local terms energy: -248.712725
where:
bonds (distance) C4'-P energy: -50.535
bonds (distance) P-C4' energy: -45.175
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -36.593
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: 255
Temperature: 1.200000
Total energy: -735.907356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.907356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.907356 (E_RNA)
where:
Base-Base interactions energy: -514.491
where: short stacking energy: -216.224
Base-Backbone interact. energy: -0.652
local terms energy: -220.764722
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -50.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -659.032635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.032635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.032635 (E_RNA)
where:
Base-Base interactions energy: -441.601
where: short stacking energy: -186.801
Base-Backbone interact. energy: -0.645
local terms energy: -216.787171
where:
bonds (distance) C4'-P energy: -40.933
bonds (distance) P-C4' energy: -47.326
flat angles C4'-P-C4' energy: -43.707
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -572.143042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.143042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.143042 (E_RNA)
where:
Base-Base interactions energy: -367.462
where: short stacking energy: -161.851
Base-Backbone interact. energy: -1.200
local terms energy: -203.480775
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -28.970
tors. eta vs tors. theta energy: -41.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -230.798769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.798769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.798769 (E_RNA)
where:
Base-Base interactions energy: -97.694
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.242
local terms energy: -132.862873
where:
bonds (distance) C4'-P energy: -54.828
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: 11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -950.799484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.799484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.799484 (E_RNA)
where:
Base-Base interactions energy: -651.392
where: short stacking energy: -287.155
Base-Backbone interact. energy: -0.045
local terms energy: -299.362938
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -59.290
flat angles P-C4'-P energy: -46.361
tors. eta vs tors. theta energy: -85.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -945.696327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.696327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.696327 (E_RNA)
where:
Base-Base interactions energy: -648.175
where: short stacking energy: -285.160
Base-Backbone interact. energy: -1.616
local terms energy: -295.905554
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -57.077
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -89.051
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: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -860.357386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.357386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.357386 (E_RNA)
where:
Base-Base interactions energy: -585.779
where: short stacking energy: -260.909
Base-Backbone interact. energy: -1.468
local terms energy: -273.110014
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -57.075
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -74.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -867.485911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.485911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.485911 (E_RNA)
where:
Base-Base interactions energy: -610.621
where: short stacking energy: -261.031
Base-Backbone interact. energy: -0.212
local terms energy: -256.653606
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -70.456
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -791.003493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.003493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.003493 (E_RNA)
where:
Base-Base interactions energy: -551.069
where: short stacking energy: -237.122
Base-Backbone interact. energy: 1.592
local terms energy: -241.527011
where:
bonds (distance) C4'-P energy: -55.195
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -64.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -801.171506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.171506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.171506 (E_RNA)
where:
Base-Base interactions energy: -563.318
where: short stacking energy: -248.795
Base-Backbone interact. energy: 0.145
local terms energy: -237.998549
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -38.287
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -74.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -733.638918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.638918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.638918 (E_RNA)
where:
Base-Base interactions energy: -495.732
where: short stacking energy: -209.294
Base-Backbone interact. energy: 1.747
local terms energy: -239.653643
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -44.066
flat angles C4'-P-C4' energy: -52.753
flat angles P-C4'-P energy: -34.181
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: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -644.091478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.091478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.091478 (E_RNA)
where:
Base-Base interactions energy: -440.378
where: short stacking energy: -178.912
Base-Backbone interact. energy: -0.873
local terms energy: -202.840367
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -45.844
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -47.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -593.459552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.459552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.459552 (E_RNA)
where:
Base-Base interactions energy: -386.570
where: short stacking energy: -176.819
Base-Backbone interact. energy: 3.811
local terms energy: -210.700513
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -39.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -223.426870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.426870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.426870 (E_RNA)
where:
Base-Base interactions energy: -63.170
where: short stacking energy: -52.422
Base-Backbone interact. energy: -0.180
local terms energy: -160.076933
where:
bonds (distance) C4'-P energy: -52.058
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -12.354
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: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -959.370469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.370469 (E_RNA)
where:
Base-Base interactions energy: -647.584
where: short stacking energy: -298.107
Base-Backbone interact. energy: -0.512
local terms energy: -311.274169
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -59.763
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -87.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -957.532016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.532016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.532016 (E_RNA)
where:
Base-Base interactions energy: -663.490
where: short stacking energy: -296.990
Base-Backbone interact. energy: -1.058
local terms energy: -292.984578
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -881.391059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.391059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.391059 (E_RNA)
where:
Base-Base interactions energy: -613.137
where: short stacking energy: -277.246
Base-Backbone interact. energy: 1.269
local terms energy: -269.522875
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -49.333
flat angles C4'-P-C4' energy: -62.949
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -75.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -877.953691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.953691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.953691 (E_RNA)
where:
Base-Base interactions energy: -599.766
where: short stacking energy: -266.835
Base-Backbone interact. energy: -0.765
local terms energy: -277.422620
where:
bonds (distance) C4'-P energy: -52.203
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -41.296
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: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -801.371465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.371465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.371465 (E_RNA)
where:
Base-Base interactions energy: -547.932
where: short stacking energy: -231.791
Base-Backbone interact. energy: -0.521
local terms energy: -252.918046
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: -65.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -795.455416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.455416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.455416 (E_RNA)
where:
Base-Base interactions energy: -531.267
where: short stacking energy: -230.875
Base-Backbone interact. energy: -0.710
local terms energy: -263.478444
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -71.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -757.976554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.976554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.976554 (E_RNA)
where:
Base-Base interactions energy: -527.418
where: short stacking energy: -237.340
Base-Backbone interact. energy: -0.337
local terms energy: -230.220867
where:
bonds (distance) C4'-P energy: -37.235
bonds (distance) P-C4' energy: -44.154
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -29.990
tors. eta vs tors. theta energy: -61.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -655.863708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.863708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.863708 (E_RNA)
where:
Base-Base interactions energy: -455.138
where: short stacking energy: -194.497
Base-Backbone interact. energy: -0.959
local terms energy: -199.766872
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -47.458
flat angles C4'-P-C4' energy: -37.583
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -51.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -599.684635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.684635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.684635 (E_RNA)
where:
Base-Base interactions energy: -396.404
where: short stacking energy: -182.135
Base-Backbone interact. energy: -0.684
local terms energy: -202.595940
where:
bonds (distance) C4'-P energy: -42.859
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -29.088
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: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -257.408640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.408640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.408640 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -79.894
Base-Backbone interact. energy: -0.699
local terms energy: -135.515459
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -42.504
flat angles C4'-P-C4' energy: -43.911
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -961.859692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.859692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.859692 (E_RNA)
where:
Base-Base interactions energy: -671.304
where: short stacking energy: -292.257
Base-Backbone interact. energy: -0.298
local terms energy: -290.258101
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -54.853
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -84.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -930.882674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.882674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.882674 (E_RNA)
where:
Base-Base interactions energy: -629.611
where: short stacking energy: -278.138
Base-Backbone interact. energy: -0.266
local terms energy: -301.005953
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -60.482
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -85.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -876.417030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.417030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.417030 (E_RNA)
where:
Base-Base interactions energy: -620.701
where: short stacking energy: -274.177
Base-Backbone interact. energy: -0.286
local terms energy: -255.429919
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -51.796
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -74.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -854.746865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.746865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.746865 (E_RNA)
where:
Base-Base interactions energy: -601.991
where: short stacking energy: -266.269
Base-Backbone interact. energy: -0.291
local terms energy: -252.465186
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -31.392
tors. eta vs tors. theta energy: -77.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -830.417492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.417492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.417492 (E_RNA)
where:
Base-Base interactions energy: -570.922
where: short stacking energy: -242.968
Base-Backbone interact. energy: -0.540
local terms energy: -258.955671
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -52.946
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -789.444472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.444472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.444472 (E_RNA)
where:
Base-Base interactions energy: -546.922
where: short stacking energy: -216.759
Base-Backbone interact. energy: 0.413
local terms energy: -242.935339
where:
bonds (distance) C4'-P energy: -44.602
bonds (distance) P-C4' energy: -48.866
flat angles C4'-P-C4' energy: -44.031
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -63.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -752.886263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.886263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.886263 (E_RNA)
where:
Base-Base interactions energy: -520.130
where: short stacking energy: -216.859
Base-Backbone interact. energy: -0.910
local terms energy: -231.846412
where:
bonds (distance) C4'-P energy: -39.396
bonds (distance) P-C4' energy: -46.750
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -56.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -668.445917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.445917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.445917 (E_RNA)
where:
Base-Base interactions energy: -435.955
where: short stacking energy: -197.320
Base-Backbone interact. energy: -1.063
local terms energy: -231.427744
where:
bonds (distance) C4'-P energy: -51.347
bonds (distance) P-C4' energy: -41.546
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -55.255
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -574.991786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.991786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.991786 (E_RNA)
where:
Base-Base interactions energy: -389.618
where: short stacking energy: -175.639
Base-Backbone interact. energy: 0.182
local terms energy: -185.555509
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -42.301
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: 258
Temperature: 1.350000
Total energy: -219.493125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.493125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493125 (E_RNA)
where:
Base-Base interactions energy: -93.158
where: short stacking energy: -78.177
Base-Backbone interact. energy: 0.989
local terms energy: -127.323728
where:
bonds (distance) C4'-P energy: -40.792
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: 9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -961.611948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.611948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.611948 (E_RNA)
where:
Base-Base interactions energy: -674.365
where: short stacking energy: -298.234
Base-Backbone interact. energy: -0.881
local terms energy: -286.366238
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -59.097
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: -88.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -930.265750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.265750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.265750 (E_RNA)
where:
Base-Base interactions energy: -640.932
where: short stacking energy: -270.536
Base-Backbone interact. energy: -1.023
local terms energy: -288.310904
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -88.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -868.817463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.817463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.817463 (E_RNA)
where:
Base-Base interactions energy: -580.152
where: short stacking energy: -256.466
Base-Backbone interact. energy: -1.161
local terms energy: -287.504883
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -44.230
tors. eta vs tors. theta energy: -75.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -835.315195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.315195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.315195 (E_RNA)
where:
Base-Base interactions energy: -573.439
where: short stacking energy: -249.097
Base-Backbone interact. energy: -1.372
local terms energy: -260.503414
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -42.680
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -70.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -821.158432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.158432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.158432 (E_RNA)
where:
Base-Base interactions energy: -540.529
where: short stacking energy: -239.869
Base-Backbone interact. energy: -1.788
local terms energy: -278.841828
where:
bonds (distance) C4'-P energy: -55.757
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -813.892164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.892164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.892164 (E_RNA)
where:
Base-Base interactions energy: -566.578
where: short stacking energy: -248.865
Base-Backbone interact. energy: -0.830
local terms energy: -246.484215
where:
bonds (distance) C4'-P energy: -48.260
bonds (distance) P-C4' energy: -38.981
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -67.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -732.130181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.130181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.130181 (E_RNA)
where:
Base-Base interactions energy: -494.671
where: short stacking energy: -206.202
Base-Backbone interact. energy: -1.019
local terms energy: -236.440875
where:
bonds (distance) C4'-P energy: -48.193
bonds (distance) P-C4' energy: -48.671
flat angles C4'-P-C4' energy: -45.743
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -59.768
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: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -693.082587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.082587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.082587 (E_RNA)
where:
Base-Base interactions energy: -468.824
where: short stacking energy: -215.523
Base-Backbone interact. energy: -0.406
local terms energy: -223.853261
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -48.426
flat angles C4'-P-C4' energy: -48.285
flat angles P-C4'-P energy: -31.679
tors. eta vs tors. theta energy: -53.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -513.049000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.049000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.049000 (E_RNA)
where:
Base-Base interactions energy: -311.656
where: short stacking energy: -147.254
Base-Backbone interact. energy: 1.886
local terms energy: -203.278597
where:
bonds (distance) C4'-P energy: -50.348
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -32.796
tors. eta vs tors. theta energy: -35.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -223.282851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.282851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.282851 (E_RNA)
where:
Base-Base interactions energy: -83.720
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.094
local terms energy: -139.468203
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -951.890343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.890343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.890343 (E_RNA)
where:
Base-Base interactions energy: -651.010
where: short stacking energy: -277.829
Base-Backbone interact. energy: -1.660
local terms energy: -299.220864
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -86.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -936.747188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.747188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.747188 (E_RNA)
where:
Base-Base interactions energy: -656.350
where: short stacking energy: -282.558
Base-Backbone interact. energy: 0.230
local terms energy: -280.627393
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -52.441
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -86.887
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: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -871.791027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.791027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.791027 (E_RNA)
where:
Base-Base interactions energy: -611.703
where: short stacking energy: -267.239
Base-Backbone interact. energy: -1.123
local terms energy: -258.964521
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -76.037
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -859.792555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.792555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.792555 (E_RNA)
where:
Base-Base interactions energy: -596.726
where: short stacking energy: -270.262
Base-Backbone interact. energy: -1.019
local terms energy: -262.047883
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -75.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -823.678214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.678214 (E_RNA)
where:
Base-Base interactions energy: -557.919
where: short stacking energy: -241.936
Base-Backbone interact. energy: -0.419
local terms energy: -265.340327
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -55.779
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -70.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -804.111143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.111143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.111143 (E_RNA)
where:
Base-Base interactions energy: -564.122
where: short stacking energy: -228.864
Base-Backbone interact. energy: -0.594
local terms energy: -239.395492
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -55.633
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: 260
Temperature: 1.200000
Total energy: -729.117914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.117914 (E_RNA)
where:
Base-Base interactions energy: -484.582
where: short stacking energy: -207.001
Base-Backbone interact. energy: -0.662
local terms energy: -243.873895
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -46.266
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -55.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -694.724711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.724711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.724711 (E_RNA)
where:
Base-Base interactions energy: -463.710
where: short stacking energy: -204.185
Base-Backbone interact. energy: -0.811
local terms energy: -230.202932
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -54.840
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: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -553.111993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.111993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.111993 (E_RNA)
where:
Base-Base interactions energy: -368.870
where: short stacking energy: -166.214
Base-Backbone interact. energy: -0.396
local terms energy: -183.845661
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -52.435
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -42.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -228.060901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.060901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.060901 (E_RNA)
where:
Base-Base interactions energy: -80.838
where: short stacking energy: -74.486
Base-Backbone interact. energy: 0.200
local terms energy: -147.423327
where:
bonds (distance) C4'-P energy: -44.451
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -27.487
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -960.400876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.400876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.400876 (E_RNA)
where:
Base-Base interactions energy: -661.831
where: short stacking energy: -294.074
Base-Backbone interact. energy: -1.481
local terms energy: -297.089312
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -53.454
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -90.063
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: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -948.729014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.729014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.729014 (E_RNA)
where:
Base-Base interactions energy: -668.980
where: short stacking energy: -294.647
Base-Backbone interact. energy: -0.395
local terms energy: -279.354159
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -58.545
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -86.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -896.194673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.194673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.194673 (E_RNA)
where:
Base-Base interactions energy: -619.366
where: short stacking energy: -272.280
Base-Backbone interact. energy: -0.632
local terms energy: -276.196864
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -50.152
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -80.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -856.875723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.875723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.875723 (E_RNA)
where:
Base-Base interactions energy: -589.652
where: short stacking energy: -252.211
Base-Backbone interact. energy: -1.171
local terms energy: -266.052395
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -72.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -800.403475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.403475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.403475 (E_RNA)
where:
Base-Base interactions energy: -528.141
where: short stacking energy: -209.556
Base-Backbone interact. energy: -0.242
local terms energy: -272.020551
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -49.419
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -69.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -821.753449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.753449 (E_RNA)
where:
Base-Base interactions energy: -597.461
where: short stacking energy: -240.696
Base-Backbone interact. energy: 0.534
local terms energy: -224.826160
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -43.714
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -746.474583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.474583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.474583 (E_RNA)
where:
Base-Base interactions energy: -525.577
where: short stacking energy: -212.435
Base-Backbone interact. energy: -1.542
local terms energy: -219.355148
where:
bonds (distance) C4'-P energy: -48.231
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -56.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -655.554312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.554312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.554312 (E_RNA)
where:
Base-Base interactions energy: -430.319
where: short stacking energy: -202.960
Base-Backbone interact. energy: 0.388
local terms energy: -225.623596
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -44.977
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -58.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -565.231590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.231590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.231590 (E_RNA)
where:
Base-Base interactions energy: -368.120
where: short stacking energy: -172.449
Base-Backbone interact. energy: -0.013
local terms energy: -197.098622
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -37.715
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -228.086697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086697 (E_RNA)
where:
Base-Base interactions energy: -87.290
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.399
local terms energy: -140.397513
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -41.697
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -10.704
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: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -943.226139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.226139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.226139 (E_RNA)
where:
Base-Base interactions energy: -664.597
where: short stacking energy: -284.101
Base-Backbone interact. energy: -0.989
local terms energy: -277.640200
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -85.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -946.514046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.514046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.514046 (E_RNA)
where:
Base-Base interactions energy: -657.918
where: short stacking energy: -279.160
Base-Backbone interact. energy: -1.100
local terms energy: -287.496376
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -62.248
flat angles P-C4'-P energy: -46.914
tors. eta vs tors. theta energy: -81.849
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -910.257391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.257391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.257391 (E_RNA)
where:
Base-Base interactions energy: -622.997
where: short stacking energy: -276.678
Base-Backbone interact. energy: 1.689
local terms energy: -288.949080
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -66.266
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -77.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -855.270035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.270035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.270035 (E_RNA)
where:
Base-Base interactions energy: -588.720
where: short stacking energy: -255.525
Base-Backbone interact. energy: -1.102
local terms energy: -265.447972
where:
bonds (distance) C4'-P energy: -43.779
bonds (distance) P-C4' energy: -45.941
flat angles C4'-P-C4' energy: -58.229
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -78.872
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -868.052601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.052601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.052601 (E_RNA)
where:
Base-Base interactions energy: -603.470
where: short stacking energy: -253.970
Base-Backbone interact. energy: -0.966
local terms energy: -263.616464
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -59.644
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -76.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -775.507677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.507677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.507677 (E_RNA)
where:
Base-Base interactions energy: -535.741
where: short stacking energy: -228.779
Base-Backbone interact. energy: -0.059
local terms energy: -239.707695
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -51.792
flat angles P-C4'-P energy: -37.160
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -763.861730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.861730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.861730 (E_RNA)
where:
Base-Base interactions energy: -526.032
where: short stacking energy: -219.526
Base-Backbone interact. energy: -0.249
local terms energy: -237.579759
where:
bonds (distance) C4'-P energy: -49.479
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -60.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -647.358201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.358201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.358201 (E_RNA)
where:
Base-Base interactions energy: -430.354
where: short stacking energy: -190.720
Base-Backbone interact. energy: -2.098
local terms energy: -214.906230
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -47.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -568.510873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.510873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.510873 (E_RNA)
where:
Base-Base interactions energy: -378.573
where: short stacking energy: -166.193
Base-Backbone interact. energy: -1.358
local terms energy: -188.580370
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -45.489
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -260.353739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.353739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.353739 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -75.821
Base-Backbone interact. energy: 0.609
local terms energy: -144.382215
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -967.381716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.381716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.381716 (E_RNA)
where:
Base-Base interactions energy: -670.983
where: short stacking energy: -288.864
Base-Backbone interact. energy: -0.750
local terms energy: -295.648543
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -37.285
tors. eta vs tors. theta energy: -83.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -949.575617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.575617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.575617 (E_RNA)
where:
Base-Base interactions energy: -666.218
where: short stacking energy: -279.856
Base-Backbone interact. energy: 1.450
local terms energy: -284.807548
where:
bonds (distance) C4'-P energy: -46.420
bonds (distance) P-C4' energy: -44.032
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -82.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -890.075303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.075303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.075303 (E_RNA)
where:
Base-Base interactions energy: -620.879
where: short stacking energy: -268.672
Base-Backbone interact. energy: -0.970
local terms energy: -268.226564
where:
bonds (distance) C4'-P energy: -48.926
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -79.633
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: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -877.983862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.983862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.983862 (E_RNA)
where:
Base-Base interactions energy: -624.131
where: short stacking energy: -266.282
Base-Backbone interact. energy: -0.493
local terms energy: -253.359736
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -45.584
flat angles C4'-P-C4' energy: -51.809
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -823.054608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.054608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.054608 (E_RNA)
where:
Base-Base interactions energy: -580.078
where: short stacking energy: -253.942
Base-Backbone interact. energy: 0.270
local terms energy: -243.246808
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -52.203
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -68.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -807.449922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.449922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.449922 (E_RNA)
where:
Base-Base interactions energy: -557.894
where: short stacking energy: -228.113
Base-Backbone interact. energy: -0.158
local terms energy: -249.397507
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -48.720
flat angles C4'-P-C4' energy: -57.057
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -70.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -740.499865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.499865 (E_RNA)
where:
Base-Base interactions energy: -517.923
where: short stacking energy: -214.477
Base-Backbone interact. energy: -1.326
local terms energy: -221.250434
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -39.521
flat angles C4'-P-C4' energy: -54.664
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -60.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -697.840128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.840128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.840128 (E_RNA)
where:
Base-Base interactions energy: -441.462
where: short stacking energy: -204.985
Base-Backbone interact. energy: -0.445
local terms energy: -255.933896
where:
bonds (distance) C4'-P energy: -47.839
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -57.879
flat angles P-C4'-P energy: -36.105
tors. eta vs tors. theta energy: -64.984
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: 263
Temperature: 1.300000
Total energy: -535.816416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.816416 (E_RNA)
where:
Base-Base interactions energy: -327.157
where: short stacking energy: -168.043
Base-Backbone interact. energy: 0.366
local terms energy: -209.025239
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -44.524
flat angles C4'-P-C4' energy: -42.869
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -38.031
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: 263
Temperature: 1.350000
Total energy: -258.162886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.162886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.162886 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -70.409
Base-Backbone interact. energy: 0.370
local terms energy: -150.368229
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -44.868
flat angles P-C4'-P energy: -38.086
tors. eta vs tors. theta energy: 8.603
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: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -962.105707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.105707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.105707 (E_RNA)
where:
Base-Base interactions energy: -673.870
where: short stacking energy: -304.807
Base-Backbone interact. energy: -0.463
local terms energy: -287.773008
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -58.896
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -90.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -957.610785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.610785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.610785 (E_RNA)
where:
Base-Base interactions energy: -668.098
where: short stacking energy: -276.071
Base-Backbone interact. energy: 0.369
local terms energy: -289.881559
where:
bonds (distance) C4'-P energy: -56.965
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -55.233
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -79.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -896.172055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.172055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.172055 (E_RNA)
where:
Base-Base interactions energy: -616.807
where: short stacking energy: -262.019
Base-Backbone interact. energy: 0.139
local terms energy: -279.503389
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -55.089
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -76.872
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: 264
Temperature: 1.050000
Total energy: -865.179519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.179519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.179519 (E_RNA)
where:
Base-Base interactions energy: -597.514
where: short stacking energy: -248.660
Base-Backbone interact. energy: 1.048
local terms energy: -268.713440
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -56.866
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -75.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -815.000701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.000701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.000701 (E_RNA)
where:
Base-Base interactions energy: -566.756
where: short stacking energy: -242.982
Base-Backbone interact. energy: 1.166
local terms energy: -249.410656
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -47.387
flat angles C4'-P-C4' energy: -51.041
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -68.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -814.129677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.129677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.129677 (E_RNA)
where:
Base-Base interactions energy: -551.991
where: short stacking energy: -235.271
Base-Backbone interact. energy: -1.059
local terms energy: -261.079388
where:
bonds (distance) C4'-P energy: -55.247
bonds (distance) P-C4' energy: -57.090
flat angles C4'-P-C4' energy: -50.336
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -729.409671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.409671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.409671 (E_RNA)
where:
Base-Base interactions energy: -502.172
where: short stacking energy: -213.163
Base-Backbone interact. energy: -0.961
local terms energy: -226.276508
where:
bonds (distance) C4'-P energy: -40.714
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -52.880
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -59.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -690.024449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.024449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.024449 (E_RNA)
where:
Base-Base interactions energy: -468.488
where: short stacking energy: -198.262
Base-Backbone interact. energy: 0.257
local terms energy: -221.793174
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -47.952
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -34.086
tors. eta vs tors. theta energy: -55.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -517.993991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.993991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.993991 (E_RNA)
where:
Base-Base interactions energy: -335.895
where: short stacking energy: -139.207
Base-Backbone interact. energy: -0.717
local terms energy: -181.382063
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -229.086177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.086177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.086177 (E_RNA)
where:
Base-Base interactions energy: -99.758
where: short stacking energy: -60.585
Base-Backbone interact. energy: 1.918
local terms energy: -131.245900
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -45.554
flat angles C4'-P-C4' energy: -41.263
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: 11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -976.197552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.197552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.197552 (E_RNA)
where:
Base-Base interactions energy: -666.410
where: short stacking energy: -300.012
Base-Backbone interact. energy: -0.465
local terms energy: -309.323003
where:
bonds (distance) C4'-P energy: -59.206
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -90.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -953.688443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.688443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.688443 (E_RNA)
where:
Base-Base interactions energy: -663.839
where: short stacking energy: -273.364
Base-Backbone interact. energy: -1.720
local terms energy: -288.129679
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -38.341
tors. eta vs tors. theta energy: -83.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -890.247700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.247700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.247700 (E_RNA)
where:
Base-Base interactions energy: -608.478
where: short stacking energy: -272.933
Base-Backbone interact. energy: -0.861
local terms energy: -280.908149
where:
bonds (distance) C4'-P energy: -55.247
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -78.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -870.148209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.148209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.148209 (E_RNA)
where:
Base-Base interactions energy: -581.410
where: short stacking energy: -266.508
Base-Backbone interact. energy: -1.062
local terms energy: -287.676566
where:
bonds (distance) C4'-P energy: -52.628
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -81.231
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -816.668732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.668732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.668732 (E_RNA)
where:
Base-Base interactions energy: -577.340
where: short stacking energy: -239.359
Base-Backbone interact. energy: -0.303
local terms energy: -239.025377
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -43.833
flat angles C4'-P-C4' energy: -52.730
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -66.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -814.400123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.400123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.400123 (E_RNA)
where:
Base-Base interactions energy: -571.089
where: short stacking energy: -258.475
Base-Backbone interact. energy: -0.083
local terms energy: -243.227767
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -67.795
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: 265
Temperature: 1.200000
Total energy: -739.930939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.930939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.930939 (E_RNA)
where:
Base-Base interactions energy: -508.726
where: short stacking energy: -227.144
Base-Backbone interact. energy: -0.558
local terms energy: -230.647007
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -37.179
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -62.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -650.192401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.192401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.192401 (E_RNA)
where:
Base-Base interactions energy: -421.246
where: short stacking energy: -187.847
Base-Backbone interact. energy: -0.751
local terms energy: -228.196135
where:
bonds (distance) C4'-P energy: -49.469
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -45.015
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -48.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -499.791085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.791085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.791085 (E_RNA)
where:
Base-Base interactions energy: -298.221
where: short stacking energy: -138.745
Base-Backbone interact. energy: -0.078
local terms energy: -201.491838
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -34.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -227.840083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.840083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.840083 (E_RNA)
where:
Base-Base interactions energy: -87.649
where: short stacking energy: -70.360
Base-Backbone interact. energy: 2.799
local terms energy: -142.989765
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -52.496
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: 4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -956.763975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.763975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.763975 (E_RNA)
where:
Base-Base interactions energy: -657.245
where: short stacking energy: -292.848
Base-Backbone interact. energy: -0.736
local terms energy: -298.782880
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -56.140
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -47.181
tors. eta vs tors. theta energy: -86.406
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: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -948.602486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.602486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.602486 (E_RNA)
where:
Base-Base interactions energy: -655.297
where: short stacking energy: -279.306
Base-Backbone interact. energy: -1.203
local terms energy: -292.102512
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -60.640
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -86.431
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -878.834749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.834749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.834749 (E_RNA)
where:
Base-Base interactions energy: -614.275
where: short stacking energy: -254.034
Base-Backbone interact. energy: -0.617
local terms energy: -263.942733
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -49.141
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -74.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -881.991164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.991164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.991164 (E_RNA)
where:
Base-Base interactions energy: -606.236
where: short stacking energy: -263.537
Base-Backbone interact. energy: -0.661
local terms energy: -275.093779
where:
bonds (distance) C4'-P energy: -43.270
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -83.807
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: 266
Temperature: 1.100000
Total energy: -826.200041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.200041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.200041 (E_RNA)
where:
Base-Base interactions energy: -582.304
where: short stacking energy: -242.564
Base-Backbone interact. energy: -0.771
local terms energy: -243.125367
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -57.448
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: -63.052
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -821.438443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.438443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.438443 (E_RNA)
where:
Base-Base interactions energy: -565.761
where: short stacking energy: -241.331
Base-Backbone interact. energy: 0.276
local terms energy: -255.953879
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -44.404
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -70.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -753.758723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.758723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.758723 (E_RNA)
where:
Base-Base interactions energy: -506.404
where: short stacking energy: -214.753
Base-Backbone interact. energy: -0.408
local terms energy: -246.946539
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -57.183
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -654.451517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.451517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.451517 (E_RNA)
where:
Base-Base interactions energy: -414.774
where: short stacking energy: -203.943
Base-Backbone interact. energy: 0.159
local terms energy: -239.836427
where:
bonds (distance) C4'-P energy: -47.469
bonds (distance) P-C4' energy: -49.244
flat angles C4'-P-C4' energy: -56.242
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -49.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -454.867782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.867782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.867782 (E_RNA)
where:
Base-Base interactions energy: -272.845
where: short stacking energy: -141.767
Base-Backbone interact. energy: -1.135
local terms energy: -180.888144
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -48.982
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -221.263139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263139 (E_RNA)
where:
Base-Base interactions energy: -81.209
where: short stacking energy: -73.103
Base-Backbone interact. energy: 0.502
local terms energy: -140.556068
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -42.111
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -1.082
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -980.090896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.090896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.090896 (E_RNA)
where:
Base-Base interactions energy: -696.091
where: short stacking energy: -292.142
Base-Backbone interact. energy: -0.327
local terms energy: -283.673188
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -63.338
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -83.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -945.369027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.369027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.369027 (E_RNA)
where:
Base-Base interactions energy: -647.017
where: short stacking energy: -287.382
Base-Backbone interact. energy: -0.508
local terms energy: -297.843527
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -64.751
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -89.195
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: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -897.501770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.501770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.501770 (E_RNA)
where:
Base-Base interactions energy: -613.726
where: short stacking energy: -265.668
Base-Backbone interact. energy: -0.415
local terms energy: -283.360285
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -46.396
flat angles C4'-P-C4' energy: -57.936
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -79.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -852.542757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.542757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.542757 (E_RNA)
where:
Base-Base interactions energy: -592.714
where: short stacking energy: -256.942
Base-Backbone interact. energy: -0.474
local terms energy: -259.355342
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -69.114
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: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -822.413106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.413106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.413106 (E_RNA)
where:
Base-Base interactions energy: -569.724
where: short stacking energy: -259.873
Base-Backbone interact. energy: -0.100
local terms energy: -252.589273
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -39.352
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: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -814.619539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.619539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.619539 (E_RNA)
where:
Base-Base interactions energy: -561.989
where: short stacking energy: -243.200
Base-Backbone interact. energy: 2.081
local terms energy: -254.711184
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -49.053
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -67.068
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: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -756.477336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.477336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.477336 (E_RNA)
where:
Base-Base interactions energy: -508.407
where: short stacking energy: -206.369
Base-Backbone interact. energy: -2.299
local terms energy: -245.770824
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -47.208
flat angles C4'-P-C4' energy: -52.534
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -650.691418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.691418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.691418 (E_RNA)
where:
Base-Base interactions energy: -432.481
where: short stacking energy: -191.227
Base-Backbone interact. energy: 1.220
local terms energy: -219.430169
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -21.396
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: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -486.064705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.064705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.064705 (E_RNA)
where:
Base-Base interactions energy: -306.698
where: short stacking energy: -139.361
Base-Backbone interact. energy: -1.029
local terms energy: -178.338118
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -44.182
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -208.016765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.016765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.016765 (E_RNA)
where:
Base-Base interactions energy: -69.809
where: short stacking energy: -60.610
Base-Backbone interact. energy: 1.702
local terms energy: -139.909670
where:
bonds (distance) C4'-P energy: -30.497
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -965.624267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.624267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.624267 (E_RNA)
where:
Base-Base interactions energy: -665.561
where: short stacking energy: -281.554
Base-Backbone interact. energy: 0.234
local terms energy: -300.297301
where:
bonds (distance) C4'-P energy: -61.378
bonds (distance) P-C4' energy: -49.039
flat angles C4'-P-C4' energy: -59.917
flat angles P-C4'-P energy: -42.813
tors. eta vs tors. theta energy: -87.150
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: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -947.023480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.023480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.023480 (E_RNA)
where:
Base-Base interactions energy: -659.776
where: short stacking energy: -289.728
Base-Backbone interact. energy: -0.688
local terms energy: -286.559517
where:
bonds (distance) C4'-P energy: -47.143
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -38.937
tors. eta vs tors. theta energy: -89.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -907.174760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.174760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.174760 (E_RNA)
where:
Base-Base interactions energy: -627.563
where: short stacking energy: -282.040
Base-Backbone interact. energy: -0.647
local terms energy: -278.965311
where:
bonds (distance) C4'-P energy: -48.125
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -60.378
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -82.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -843.859212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.859212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.859212 (E_RNA)
where:
Base-Base interactions energy: -579.323
where: short stacking energy: -254.566
Base-Backbone interact. energy: -0.356
local terms energy: -264.180566
where:
bonds (distance) C4'-P energy: -53.426
bonds (distance) P-C4' energy: -46.564
flat angles C4'-P-C4' energy: -53.536
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -75.664
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -818.548844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.548844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.548844 (E_RNA)
where:
Base-Base interactions energy: -557.090
where: short stacking energy: -246.911
Base-Backbone interact. energy: -1.445
local terms energy: -260.013278
where:
bonds (distance) C4'-P energy: -54.272
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -48.511
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -74.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -788.698833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.698833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.698833 (E_RNA)
where:
Base-Base interactions energy: -528.334
where: short stacking energy: -232.544
Base-Backbone interact. energy: 0.047
local terms energy: -260.411237
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -53.767
flat angles C4'-P-C4' energy: -54.593
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -70.129
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: 268
Temperature: 1.200000
Total energy: -765.353605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.353605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.353605 (E_RNA)
where:
Base-Base interactions energy: -510.432
where: short stacking energy: -219.182
Base-Backbone interact. energy: 0.435
local terms energy: -255.356857
where:
bonds (distance) C4'-P energy: -47.942
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -65.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -668.675876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.675876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.675876 (E_RNA)
where:
Base-Base interactions energy: -439.082
where: short stacking energy: -182.481
Base-Backbone interact. energy: 0.163
local terms energy: -229.757191
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -44.882
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -510.663582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.663582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.663582 (E_RNA)
where:
Base-Base interactions energy: -319.064
where: short stacking energy: -148.036
Base-Backbone interact. energy: 0.847
local terms energy: -192.446233
where:
bonds (distance) C4'-P energy: -39.928
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -33.780
tors. eta vs tors. theta energy: -35.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -208.566193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566193 (E_RNA)
where:
Base-Base interactions energy: -67.806
where: short stacking energy: -46.754
Base-Backbone interact. energy: -1.205
local terms energy: -139.555606
where:
bonds (distance) C4'-P energy: -45.824
bonds (distance) P-C4' energy: -47.563
flat angles C4'-P-C4' energy: -33.872
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: 2.954
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: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -989.599848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.599848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.599848 (E_RNA)
where:
Base-Base interactions energy: -689.780
where: short stacking energy: -295.039
Base-Backbone interact. energy: -0.754
local terms energy: -299.065221
where:
bonds (distance) C4'-P energy: -43.937
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -64.309
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -88.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -964.579797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.579797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.579797 (E_RNA)
where:
Base-Base interactions energy: -674.336
where: short stacking energy: -305.502
Base-Backbone interact. energy: 1.847
local terms energy: -292.090741
where:
bonds (distance) C4'-P energy: -48.192
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -57.772
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -93.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -920.598951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.598951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.598951 (E_RNA)
where:
Base-Base interactions energy: -642.542
where: short stacking energy: -266.051
Base-Backbone interact. energy: -0.884
local terms energy: -277.172815
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -59.829
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -82.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -845.999424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.999424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.999424 (E_RNA)
where:
Base-Base interactions energy: -566.570
where: short stacking energy: -247.827
Base-Backbone interact. energy: -0.403
local terms energy: -279.027057
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -59.577
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -72.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -838.771881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.771881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.771881 (E_RNA)
where:
Base-Base interactions energy: -576.027
where: short stacking energy: -249.264
Base-Backbone interact. energy: -0.837
local terms energy: -261.908052
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -56.350
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -73.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -817.534998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.534998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.534998 (E_RNA)
where:
Base-Base interactions energy: -564.231
where: short stacking energy: -237.970
Base-Backbone interact. energy: -0.114
local terms energy: -253.189392
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -65.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -755.584052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.584052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.584052 (E_RNA)
where:
Base-Base interactions energy: -516.843
where: short stacking energy: -212.052
Base-Backbone interact. energy: -1.162
local terms energy: -237.578474
where:
bonds (distance) C4'-P energy: -41.599
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -62.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -659.946932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.946932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.946932 (E_RNA)
where:
Base-Base interactions energy: -424.865
where: short stacking energy: -197.641
Base-Backbone interact. energy: -0.964
local terms energy: -234.117106
where:
bonds (distance) C4'-P energy: -48.015
bonds (distance) P-C4' energy: -51.533
flat angles C4'-P-C4' energy: -51.848
flat angles P-C4'-P energy: -31.478
tors. eta vs tors. theta energy: -51.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -514.613645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.613645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.613645 (E_RNA)
where:
Base-Base interactions energy: -306.571
where: short stacking energy: -145.028
Base-Backbone interact. energy: 0.115
local terms energy: -208.157722
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -45.096
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -34.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -227.515693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.515693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.515693 (E_RNA)
where:
Base-Base interactions energy: -71.459
where: short stacking energy: -70.603
Base-Backbone interact. energy: -1.544
local terms energy: -154.513044
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -30.988
tors. eta vs tors. theta energy: 6.587
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: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -964.644377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.644377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.644377 (E_RNA)
where:
Base-Base interactions energy: -677.004
where: short stacking energy: -301.497
Base-Backbone interact. energy: 0.220
local terms energy: -287.860318
where:
bonds (distance) C4'-P energy: -48.762
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -90.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -955.167113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.167113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.167113 (E_RNA)
where:
Base-Base interactions energy: -663.972
where: short stacking energy: -281.233
Base-Backbone interact. energy: -1.738
local terms energy: -289.457237
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -54.848
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -84.887
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -899.588148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.588148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.588148 (E_RNA)
where:
Base-Base interactions energy: -627.930
where: short stacking energy: -264.668
Base-Backbone interact. energy: -0.704
local terms energy: -270.954776
where:
bonds (distance) C4'-P energy: -52.902
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -76.016
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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -845.890012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.890012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.890012 (E_RNA)
where:
Base-Base interactions energy: -584.394
where: short stacking energy: -244.379
Base-Backbone interact. energy: -0.469
local terms energy: -261.026888
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -48.970
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -65.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -843.200939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.200939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.200939 (E_RNA)
where:
Base-Base interactions energy: -583.816
where: short stacking energy: -251.088
Base-Backbone interact. energy: -0.315
local terms energy: -259.069914
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -52.680
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -76.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -798.742202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.742202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.742202 (E_RNA)
where:
Base-Base interactions energy: -535.211
where: short stacking energy: -233.091
Base-Backbone interact. energy: 0.872
local terms energy: -264.402599
where:
bonds (distance) C4'-P energy: -60.367
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -60.899
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: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -737.962173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.962173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.962173 (E_RNA)
where:
Base-Base interactions energy: -505.920
where: short stacking energy: -202.391
Base-Backbone interact. energy: -2.366
local terms energy: -229.675641
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -61.587
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -645.141320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.141320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.141320 (E_RNA)
where:
Base-Base interactions energy: -432.063
where: short stacking energy: -195.366
Base-Backbone interact. energy: 0.620
local terms energy: -213.698183
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -53.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -503.490371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.490371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.490371 (E_RNA)
where:
Base-Base interactions energy: -313.292
where: short stacking energy: -139.916
Base-Backbone interact. energy: -1.177
local terms energy: -189.022294
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -31.663
tors. eta vs tors. theta energy: -33.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -224.708328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.708328 (E_RNA)
where:
Base-Base interactions energy: -73.465
where: short stacking energy: -63.613
Base-Backbone interact. energy: 3.690
local terms energy: -154.933873
where:
bonds (distance) C4'-P energy: -39.413
bonds (distance) P-C4' energy: -47.416
flat angles C4'-P-C4' energy: -40.310
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -974.791730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.791730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.791730 (E_RNA)
where:
Base-Base interactions energy: -694.871
where: short stacking energy: -300.702
Base-Backbone interact. energy: 5.846
local terms energy: -285.766701
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -86.281
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: 271
Temperature: 0.950000
Total energy: -915.468174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.468174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.468174 (E_RNA)
where:
Base-Base interactions energy: -643.943
where: short stacking energy: -275.518
Base-Backbone interact. energy: -1.215
local terms energy: -270.309435
where:
bonds (distance) C4'-P energy: -53.295
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -50.663
flat angles P-C4'-P energy: -37.248
tors. eta vs tors. theta energy: -79.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -906.056553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.056553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.056553 (E_RNA)
where:
Base-Base interactions energy: -616.559
where: short stacking energy: -262.758
Base-Backbone interact. energy: -0.984
local terms energy: -288.513396
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -60.555
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -82.677
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: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -867.164375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.164375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.164375 (E_RNA)
where:
Base-Base interactions energy: -597.510
where: short stacking energy: -267.834
Base-Backbone interact. energy: -0.965
local terms energy: -268.689385
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -71.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -826.404626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.404626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.404626 (E_RNA)
where:
Base-Base interactions energy: -565.595
where: short stacking energy: -244.554
Base-Backbone interact. energy: -0.573
local terms energy: -260.237258
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -50.807
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -74.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -807.700824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.700824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.700824 (E_RNA)
where:
Base-Base interactions energy: -557.558
where: short stacking energy: -244.270
Base-Backbone interact. energy: 0.176
local terms energy: -250.319569
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -46.186
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -68.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -745.397399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.397399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.397399 (E_RNA)
where:
Base-Base interactions energy: -511.503
where: short stacking energy: -205.636
Base-Backbone interact. energy: 0.732
local terms energy: -234.626354
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -48.906
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -43.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -671.643892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.643892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.643892 (E_RNA)
where:
Base-Base interactions energy: -464.599
where: short stacking energy: -192.697
Base-Backbone interact. energy: -1.530
local terms energy: -205.514863
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -30.092
tors. eta vs tors. theta energy: -46.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -477.071772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.071772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.071772 (E_RNA)
where:
Base-Base interactions energy: -293.793
where: short stacking energy: -144.986
Base-Backbone interact. energy: -0.916
local terms energy: -182.362124
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -41.919
flat angles C4'-P-C4' energy: -40.023
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -32.210
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: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -222.440028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440028 (E_RNA)
where:
Base-Base interactions energy: -94.931
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.739
local terms energy: -126.769924
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: 5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -978.083695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.083695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.083695 (E_RNA)
where:
Base-Base interactions energy: -673.638
where: short stacking energy: -294.614
Base-Backbone interact. energy: 0.054
local terms energy: -304.499804
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -58.619
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -88.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -946.262899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.262899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.262899 (E_RNA)
where:
Base-Base interactions energy: -664.680
where: short stacking energy: -285.654
Base-Backbone interact. energy: 4.509
local terms energy: -286.091724
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -49.802
flat angles C4'-P-C4' energy: -62.114
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -83.079
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: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -909.495925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.495925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.495925 (E_RNA)
where:
Base-Base interactions energy: -631.498
where: short stacking energy: -266.289
Base-Backbone interact. energy: -1.011
local terms energy: -276.986800
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -39.519
tors. eta vs tors. theta energy: -79.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -880.912034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.912034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.912034 (E_RNA)
where:
Base-Base interactions energy: -602.630
where: short stacking energy: -269.775
Base-Backbone interact. energy: -1.007
local terms energy: -277.275017
where:
bonds (distance) C4'-P energy: -55.274
bonds (distance) P-C4' energy: -51.740
flat angles C4'-P-C4' energy: -55.566
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -73.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -829.680341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.680341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.680341 (E_RNA)
where:
Base-Base interactions energy: -570.335
where: short stacking energy: -244.884
Base-Backbone interact. energy: 0.757
local terms energy: -260.103235
where:
bonds (distance) C4'-P energy: -47.559
bonds (distance) P-C4' energy: -44.727
flat angles C4'-P-C4' energy: -57.921
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -70.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -796.797239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.797239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.797239 (E_RNA)
where:
Base-Base interactions energy: -551.095
where: short stacking energy: -233.166
Base-Backbone interact. energy: -1.209
local terms energy: -244.492754
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -47.643
flat angles C4'-P-C4' energy: -61.346
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -61.146
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: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -746.095190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.095190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.095190 (E_RNA)
where:
Base-Base interactions energy: -515.941
where: short stacking energy: -220.631
Base-Backbone interact. energy: -1.396
local terms energy: -228.758432
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -49.665
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -61.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -711.289028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.289028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.289028 (E_RNA)
where:
Base-Base interactions energy: -496.616
where: short stacking energy: -217.140
Base-Backbone interact. energy: 3.390
local terms energy: -218.063493
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -44.878
flat angles C4'-P-C4' energy: -45.915
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -63.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -480.022153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.022153 (E_RNA)
where:
Base-Base interactions energy: -287.238
where: short stacking energy: -129.764
Base-Backbone interact. energy: -1.867
local terms energy: -190.916830
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -40.306
flat angles C4'-P-C4' energy: -43.852
flat angles P-C4'-P energy: -29.584
tors. eta vs tors. theta energy: -26.395
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: 272
Temperature: 1.350000
Total energy: -224.334577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.334577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.334577 (E_RNA)
where:
Base-Base interactions energy: -64.305
where: short stacking energy: -43.610
Base-Backbone interact. energy: 1.695
local terms energy: -161.724655
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: 5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -964.722138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.722138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.722138 (E_RNA)
where:
Base-Base interactions energy: -676.261
where: short stacking energy: -280.090
Base-Backbone interact. energy: 2.727
local terms energy: -291.188173
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -82.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -928.024466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.024466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.024466 (E_RNA)
where:
Base-Base interactions energy: -642.805
where: short stacking energy: -291.065
Base-Backbone interact. energy: -1.364
local terms energy: -283.855279
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -59.610
flat angles P-C4'-P energy: -39.734
tors. eta vs tors. theta energy: -79.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -898.827078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.827078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.827078 (E_RNA)
where:
Base-Base interactions energy: -623.526
where: short stacking energy: -277.787
Base-Backbone interact. energy: -0.639
local terms energy: -274.662078
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -53.749
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -78.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -853.215135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.215135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.215135 (E_RNA)
where:
Base-Base interactions energy: -589.924
where: short stacking energy: -257.476
Base-Backbone interact. energy: 1.137
local terms energy: -264.428149
where:
bonds (distance) C4'-P energy: -47.263
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -75.085
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: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -813.080624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.080624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.080624 (E_RNA)
where:
Base-Base interactions energy: -590.750
where: short stacking energy: -241.534
Base-Backbone interact. energy: -1.275
local terms energy: -221.054918
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -59.097
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -59.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -786.434087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.434087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.434087 (E_RNA)
where:
Base-Base interactions energy: -542.544
where: short stacking energy: -231.950
Base-Backbone interact. energy: -0.449
local terms energy: -243.441056
where:
bonds (distance) C4'-P energy: -44.413
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -33.830
tors. eta vs tors. theta energy: -67.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -720.518949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.518949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.518949 (E_RNA)
where:
Base-Base interactions energy: -488.509
where: short stacking energy: -199.356
Base-Backbone interact. energy: -1.487
local terms energy: -230.522806
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -43.666
flat angles C4'-P-C4' energy: -48.338
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -53.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -684.083765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.083765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.083765 (E_RNA)
where:
Base-Base interactions energy: -456.431
where: short stacking energy: -205.013
Base-Backbone interact. energy: 0.427
local terms energy: -228.080219
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -49.646
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -68.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -529.495663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.495663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.495663 (E_RNA)
where:
Base-Base interactions energy: -326.045
where: short stacking energy: -158.663
Base-Backbone interact. energy: -0.495
local terms energy: -202.954764
where:
bonds (distance) C4'-P energy: -52.915
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -46.341
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -35.141
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: 273
Temperature: 1.350000
Total energy: -223.456987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.456987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.456987 (E_RNA)
where:
Base-Base interactions energy: -71.278
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.413
local terms energy: -151.766039
where:
bonds (distance) C4'-P energy: -47.216
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: 4.495
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -972.723180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.723180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.723180 (E_RNA)
where:
Base-Base interactions energy: -671.650
where: short stacking energy: -296.117
Base-Backbone interact. energy: -1.200
local terms energy: -299.873499
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -88.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -934.338695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.338695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.338695 (E_RNA)
where:
Base-Base interactions energy: -656.393
where: short stacking energy: -270.902
Base-Backbone interact. energy: -0.280
local terms energy: -277.665447
where:
bonds (distance) C4'-P energy: -41.919
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -80.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -853.271472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.271472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.271472 (E_RNA)
where:
Base-Base interactions energy: -593.634
where: short stacking energy: -255.586
Base-Backbone interact. energy: -1.968
local terms energy: -257.669511
where:
bonds (distance) C4'-P energy: -43.972
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -57.169
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -72.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -890.240903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.240903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.240903 (E_RNA)
where:
Base-Base interactions energy: -610.346
where: short stacking energy: -255.266
Base-Backbone interact. energy: -0.632
local terms energy: -279.263604
where:
bonds (distance) C4'-P energy: -54.463
bonds (distance) P-C4' energy: -50.269
flat angles C4'-P-C4' energy: -54.185
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -81.511
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: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -831.861256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.861256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.861256 (E_RNA)
where:
Base-Base interactions energy: -573.243
where: short stacking energy: -251.656
Base-Backbone interact. energy: -0.226
local terms energy: -258.392352
where:
bonds (distance) C4'-P energy: -42.607
bonds (distance) P-C4' energy: -49.992
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -71.112
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -792.849192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.849192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.849192 (E_RNA)
where:
Base-Base interactions energy: -530.321
where: short stacking energy: -226.775
Base-Backbone interact. energy: -0.255
local terms energy: -262.273287
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -47.978
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -67.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -719.674832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.674832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.674832 (E_RNA)
where:
Base-Base interactions energy: -491.502
where: short stacking energy: -226.609
Base-Backbone interact. energy: 0.931
local terms energy: -229.104207
where:
bonds (distance) C4'-P energy: -43.878
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: -60.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -740.582866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.582866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.582866 (E_RNA)
where:
Base-Base interactions energy: -509.067
where: short stacking energy: -201.371
Base-Backbone interact. energy: -0.557
local terms energy: -230.958984
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -51.272
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -56.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -498.244976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.244976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.244976 (E_RNA)
where:
Base-Base interactions energy: -334.771
where: short stacking energy: -144.907
Base-Backbone interact. energy: -0.778
local terms energy: -162.695569
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -31.439
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -30.031
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: 274
Temperature: 1.350000
Total energy: -220.770780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.770780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.770780 (E_RNA)
where:
Base-Base interactions energy: -95.170
where: short stacking energy: -77.412
Base-Backbone interact. energy: -1.571
local terms energy: -124.029388
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -38.123
flat angles C4'-P-C4' energy: -40.283
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: 7.453
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: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -962.234243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.234243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.234243 (E_RNA)
where:
Base-Base interactions energy: -674.796
where: short stacking energy: -295.635
Base-Backbone interact. energy: -2.370
local terms energy: -285.067493
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -60.077
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -86.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -947.669967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.669967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.669967 (E_RNA)
where:
Base-Base interactions energy: -660.119
where: short stacking energy: -278.022
Base-Backbone interact. energy: -2.207
local terms energy: -285.343959
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -64.496
flat angles P-C4'-P energy: -41.174
tors. eta vs tors. theta energy: -79.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -850.797240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.797240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.797240 (E_RNA)
where:
Base-Base interactions energy: -594.419
where: short stacking energy: -260.070
Base-Backbone interact. energy: -1.227
local terms energy: -255.150273
where:
bonds (distance) C4'-P energy: -50.706
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -70.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -874.885294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.885294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.885294 (E_RNA)
where:
Base-Base interactions energy: -587.811
where: short stacking energy: -247.415
Base-Backbone interact. energy: -0.328
local terms energy: -286.745764
where:
bonds (distance) C4'-P energy: -54.668
bonds (distance) P-C4' energy: -54.178
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -80.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -820.609949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.609949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.609949 (E_RNA)
where:
Base-Base interactions energy: -565.007
where: short stacking energy: -251.479
Base-Backbone interact. energy: -1.042
local terms energy: -254.560983
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -49.656
flat angles P-C4'-P energy: -38.126
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: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -803.455433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.455433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.455433 (E_RNA)
where:
Base-Base interactions energy: -551.629
where: short stacking energy: -238.971
Base-Backbone interact. energy: -0.581
local terms energy: -251.245205
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -44.240
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: -65.107
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -711.735835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.735835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.735835 (E_RNA)
where:
Base-Base interactions energy: -464.268
where: short stacking energy: -219.389
Base-Backbone interact. energy: 0.030
local terms energy: -247.497973
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -52.931
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -58.092
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -729.662593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.662593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.662593 (E_RNA)
where:
Base-Base interactions energy: -522.713
where: short stacking energy: -209.535
Base-Backbone interact. energy: -0.472
local terms energy: -206.477728
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -51.814
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -55.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -495.346941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.346941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.346941 (E_RNA)
where:
Base-Base interactions energy: -297.711
where: short stacking energy: -139.779
Base-Backbone interact. energy: 3.767
local terms energy: -201.403538
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -30.706
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: 275
Temperature: 1.350000
Total energy: -232.699193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.699193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.699193 (E_RNA)
where:
Base-Base interactions energy: -69.090
where: short stacking energy: -57.157
Base-Backbone interact. energy: 1.706
local terms energy: -165.316074
where:
bonds (distance) C4'-P energy: -54.058
bonds (distance) P-C4' energy: -52.169
flat angles C4'-P-C4' energy: -41.957
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: 7.507
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: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -973.384868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.384868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.384868 (E_RNA)
where:
Base-Base interactions energy: -674.313
where: short stacking energy: -280.394
Base-Backbone interact. energy: -1.183
local terms energy: -297.888996
where:
bonds (distance) C4'-P energy: -50.829
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -64.150
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -82.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -949.903997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.903997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.903997 (E_RNA)
where:
Base-Base interactions energy: -662.602
where: short stacking energy: -286.395
Base-Backbone interact. energy: -0.425
local terms energy: -286.877447
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -48.525
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -84.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -905.512407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.512407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.512407 (E_RNA)
where:
Base-Base interactions energy: -621.526
where: short stacking energy: -265.326
Base-Backbone interact. energy: 0.105
local terms energy: -284.091568
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -54.944
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -80.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -845.908121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.908121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.908121 (E_RNA)
where:
Base-Base interactions energy: -582.762
where: short stacking energy: -234.475
Base-Backbone interact. energy: -0.722
local terms energy: -262.423773
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -52.280
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -66.537
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: 276
Temperature: 1.100000
Total energy: -818.630611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.630611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.630611 (E_RNA)
where:
Base-Base interactions energy: -562.828
where: short stacking energy: -239.361
Base-Backbone interact. energy: 5.914
local terms energy: -261.715967
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -50.946
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -65.186
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: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -780.325357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.325357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.325357 (E_RNA)
where:
Base-Base interactions energy: -564.006
where: short stacking energy: -238.528
Base-Backbone interact. energy: 2.067
local terms energy: -218.386796
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -51.453
flat angles P-C4'-P energy: -30.248
tors. eta vs tors. theta energy: -59.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -769.247312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.247312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.247312 (E_RNA)
where:
Base-Base interactions energy: -515.294
where: short stacking energy: -213.965
Base-Backbone interact. energy: 0.061
local terms energy: -254.013749
where:
bonds (distance) C4'-P energy: -52.937
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -58.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -713.465693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.465693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.465693 (E_RNA)
where:
Base-Base interactions energy: -495.219
where: short stacking energy: -209.308
Base-Backbone interact. energy: -0.236
local terms energy: -218.011026
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -42.876
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -51.700
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: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -458.432410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.432410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.432410 (E_RNA)
where:
Base-Base interactions energy: -282.793
where: short stacking energy: -137.396
Base-Backbone interact. energy: -0.176
local terms energy: -175.463317
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -33.392
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -231.420834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.420834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.420834 (E_RNA)
where:
Base-Base interactions energy: -77.738
where: short stacking energy: -63.396
Base-Backbone interact. energy: 0.442
local terms energy: -154.124486
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -39.520
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: 2.942
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: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -966.569650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.569650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.569650 (E_RNA)
where:
Base-Base interactions energy: -680.164
where: short stacking energy: -303.064
Base-Backbone interact. energy: -0.949
local terms energy: -285.456875
where:
bonds (distance) C4'-P energy: -45.932
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -63.336
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -88.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -934.391830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.391830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.391830 (E_RNA)
where:
Base-Base interactions energy: -642.799
where: short stacking energy: -283.152
Base-Backbone interact. energy: -1.598
local terms energy: -289.994558
where:
bonds (distance) C4'-P energy: -49.048
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -42.189
tors. eta vs tors. theta energy: -86.520
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: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -883.844234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.844234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.844234 (E_RNA)
where:
Base-Base interactions energy: -590.955
where: short stacking energy: -257.238
Base-Backbone interact. energy: -0.683
local terms energy: -292.205943
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -64.092
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -79.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -845.507993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.507993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.507993 (E_RNA)
where:
Base-Base interactions energy: -580.726
where: short stacking energy: -249.651
Base-Backbone interact. energy: -0.852
local terms energy: -263.929843
where:
bonds (distance) C4'-P energy: -50.195
bonds (distance) P-C4' energy: -54.981
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -38.423
tors. eta vs tors. theta energy: -72.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -841.340433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.340433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.340433 (E_RNA)
where:
Base-Base interactions energy: -571.477
where: short stacking energy: -256.296
Base-Backbone interact. energy: 0.645
local terms energy: -270.508735
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -47.547
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -76.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -765.170478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.170478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.170478 (E_RNA)
where:
Base-Base interactions energy: -514.049
where: short stacking energy: -221.184
Base-Backbone interact. energy: 1.582
local terms energy: -252.702850
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -52.892
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -782.195842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.195842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.195842 (E_RNA)
where:
Base-Base interactions energy: -536.498
where: short stacking energy: -224.254
Base-Backbone interact. energy: -0.638
local terms energy: -245.059532
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -63.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -704.977645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.977645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.977645 (E_RNA)
where:
Base-Base interactions energy: -475.687
where: short stacking energy: -208.997
Base-Backbone interact. energy: -0.750
local terms energy: -228.540433
where:
bonds (distance) C4'-P energy: -43.634
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -50.544
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -66.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -459.859161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.859161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.859161 (E_RNA)
where:
Base-Base interactions energy: -287.845
where: short stacking energy: -124.320
Base-Backbone interact. energy: -1.641
local terms energy: -170.372668
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -237.295181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.295181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.295181 (E_RNA)
where:
Base-Base interactions energy: -91.535
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.667
local terms energy: -145.093977
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: 0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -971.989881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.989881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.989881 (E_RNA)
where:
Base-Base interactions energy: -680.568
where: short stacking energy: -288.583
Base-Backbone interact. energy: 0.059
local terms energy: -291.481058
where:
bonds (distance) C4'-P energy: -53.700
bonds (distance) P-C4' energy: -52.977
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -959.792191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.792191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.792191 (E_RNA)
where:
Base-Base interactions energy: -656.742
where: short stacking energy: -277.630
Base-Backbone interact. energy: -1.170
local terms energy: -301.880776
where:
bonds (distance) C4'-P energy: -48.924
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -64.526
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: -88.374
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: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -928.143237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.143237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.143237 (E_RNA)
where:
Base-Base interactions energy: -627.922
where: short stacking energy: -278.794
Base-Backbone interact. energy: 0.977
local terms energy: -301.198613
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -46.085
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -837.653562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.653562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.653562 (E_RNA)
where:
Base-Base interactions energy: -584.388
where: short stacking energy: -240.347
Base-Backbone interact. energy: -0.512
local terms energy: -252.753424
where:
bonds (distance) C4'-P energy: -40.173
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -69.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -811.509156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.509156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.509156 (E_RNA)
where:
Base-Base interactions energy: -581.371
where: short stacking energy: -250.476
Base-Backbone interact. energy: 2.287
local terms energy: -232.425190
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -69.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -812.262272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.262272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.262272 (E_RNA)
where:
Base-Base interactions energy: -569.298
where: short stacking energy: -228.467
Base-Backbone interact. energy: -0.494
local terms energy: -242.470056
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -51.755
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -63.559
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: 278
Temperature: 1.200000
Total energy: -773.785298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.785298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.785298 (E_RNA)
where:
Base-Base interactions energy: -533.583
where: short stacking energy: -225.471
Base-Backbone interact. energy: -1.185
local terms energy: -239.017252
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -50.774
flat angles C4'-P-C4' energy: -50.552
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -66.493
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: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -649.197617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.197617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.197617 (E_RNA)
where:
Base-Base interactions energy: -432.832
where: short stacking energy: -193.456
Base-Backbone interact. energy: -1.178
local terms energy: -215.188162
where:
bonds (distance) C4'-P energy: -44.096
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -456.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.246215 (E_RNA)
where:
Base-Base interactions energy: -275.095
where: short stacking energy: -115.137
Base-Backbone interact. energy: -1.682
local terms energy: -179.469370
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -46.806
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -22.265
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: 278
Temperature: 1.350000
Total energy: -213.763169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.763169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.763169 (E_RNA)
where:
Base-Base interactions energy: -75.404
where: short stacking energy: -64.712
Base-Backbone interact. energy: 1.915
local terms energy: -140.273474
where:
bonds (distance) C4'-P energy: -48.212
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: 9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -964.553659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.553659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.553659 (E_RNA)
where:
Base-Base interactions energy: -669.466
where: short stacking energy: -289.201
Base-Backbone interact. energy: -0.728
local terms energy: -294.359800
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -86.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -938.007447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.007447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.007447 (E_RNA)
where:
Base-Base interactions energy: -665.321
where: short stacking energy: -278.677
Base-Backbone interact. energy: -0.058
local terms energy: -272.627999
where:
bonds (distance) C4'-P energy: -52.133
bonds (distance) P-C4' energy: -47.419
flat angles C4'-P-C4' energy: -57.418
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -79.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -937.743263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.743263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.743263 (E_RNA)
where:
Base-Base interactions energy: -658.083
where: short stacking energy: -291.122
Base-Backbone interact. energy: 1.890
local terms energy: -281.550730
where:
bonds (distance) C4'-P energy: -57.867
bonds (distance) P-C4' energy: -44.826
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -838.005593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.005593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.005593 (E_RNA)
where:
Base-Base interactions energy: -580.953
where: short stacking energy: -253.236
Base-Backbone interact. energy: -1.145
local terms energy: -255.907299
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -70.946
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: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -818.836317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.836317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.836317 (E_RNA)
where:
Base-Base interactions energy: -565.496
where: short stacking energy: -247.381
Base-Backbone interact. energy: -0.966
local terms energy: -252.373820
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -50.041
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -69.261
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: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -807.534626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.534626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.534626 (E_RNA)
where:
Base-Base interactions energy: -550.501
where: short stacking energy: -227.408
Base-Backbone interact. energy: -0.632
local terms energy: -256.402182
where:
bonds (distance) C4'-P energy: -49.359
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -57.999
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -64.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -777.041365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.041365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.041365 (E_RNA)
where:
Base-Base interactions energy: -527.944
where: short stacking energy: -222.498
Base-Backbone interact. energy: 0.045
local terms energy: -249.141743
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -48.042
flat angles P-C4'-P energy: -38.833
tors. eta vs tors. theta energy: -65.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -614.603925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.603925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.603925 (E_RNA)
where:
Base-Base interactions energy: -402.014
where: short stacking energy: -174.413
Base-Backbone interact. energy: -0.889
local terms energy: -211.701214
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -42.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -480.570298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.570298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.570298 (E_RNA)
where:
Base-Base interactions energy: -302.511
where: short stacking energy: -130.718
Base-Backbone interact. energy: 1.194
local terms energy: -179.252762
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -47.668
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -258.227735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.227735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.227735 (E_RNA)
where:
Base-Base interactions energy: -98.257
where: short stacking energy: -59.892
Base-Backbone interact. energy: 2.725
local terms energy: -162.695103
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -56.572
flat angles C4'-P-C4' energy: -44.284
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -967.922128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.922128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.922128 (E_RNA)
where:
Base-Base interactions energy: -653.398
where: short stacking energy: -287.998
Base-Backbone interact. energy: -0.674
local terms energy: -313.850979
where:
bonds (distance) C4'-P energy: -55.101
bonds (distance) P-C4' energy: -59.039
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -87.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -938.632874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.632874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.632874 (E_RNA)
where:
Base-Base interactions energy: -639.551
where: short stacking energy: -275.474
Base-Backbone interact. energy: -0.325
local terms energy: -298.756802
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -63.414
flat angles P-C4'-P energy: -43.147
tors. eta vs tors. theta energy: -82.055
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: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -934.952036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.952036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.952036 (E_RNA)
where:
Base-Base interactions energy: -647.165
where: short stacking energy: -280.680
Base-Backbone interact. energy: -1.651
local terms energy: -286.136330
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -56.313
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -85.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -856.378611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.378611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.378611 (E_RNA)
where:
Base-Base interactions energy: -574.374
where: short stacking energy: -246.434
Base-Backbone interact. energy: -0.886
local terms energy: -281.118377
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -60.263
flat angles C4'-P-C4' energy: -59.016
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -75.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -826.547847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.547847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.547847 (E_RNA)
where:
Base-Base interactions energy: -567.889
where: short stacking energy: -248.671
Base-Backbone interact. energy: -1.448
local terms energy: -257.210596
where:
bonds (distance) C4'-P energy: -36.272
bonds (distance) P-C4' energy: -48.624
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -69.953
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: 280
Temperature: 1.150000
Total energy: -773.012021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.012021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.012021 (E_RNA)
where:
Base-Base interactions energy: -516.096
where: short stacking energy: -218.094
Base-Backbone interact. energy: -1.109
local terms energy: -255.807175
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -57.409
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -57.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -783.842812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.842812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.842812 (E_RNA)
where:
Base-Base interactions energy: -534.541
where: short stacking energy: -221.360
Base-Backbone interact. energy: -1.291
local terms energy: -248.011501
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -54.941
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -57.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -604.096792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.096792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.096792 (E_RNA)
where:
Base-Base interactions energy: -385.472
where: short stacking energy: -182.880
Base-Backbone interact. energy: -0.562
local terms energy: -218.062682
where:
bonds (distance) C4'-P energy: -44.006
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -48.355
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -50.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -462.634306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.634306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.634306 (E_RNA)
where:
Base-Base interactions energy: -288.667
where: short stacking energy: -132.810
Base-Backbone interact. energy: -0.912
local terms energy: -173.054878
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -250.365550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.365550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.365550 (E_RNA)
where:
Base-Base interactions energy: -95.742
where: short stacking energy: -78.995
Base-Backbone interact. energy: 0.029
local terms energy: -154.653112
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -960.849924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.849924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.849924 (E_RNA)
where:
Base-Base interactions energy: -688.984
where: short stacking energy: -297.687
Base-Backbone interact. energy: -0.581
local terms energy: -271.285662
where:
bonds (distance) C4'-P energy: -52.471
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -82.891
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -947.865159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.865159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.865159 (E_RNA)
where:
Base-Base interactions energy: -651.602
where: short stacking energy: -283.962
Base-Backbone interact. energy: -0.402
local terms energy: -295.861844
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -64.346
flat angles P-C4'-P energy: -42.601
tors. eta vs tors. theta energy: -83.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -940.306949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.306949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.306949 (E_RNA)
where:
Base-Base interactions energy: -656.102
where: short stacking energy: -280.802
Base-Backbone interact. energy: -0.502
local terms energy: -283.702257
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -50.565
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -88.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -838.545340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.545340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.545340 (E_RNA)
where:
Base-Base interactions energy: -566.489
where: short stacking energy: -244.102
Base-Backbone interact. energy: -0.876
local terms energy: -271.180680
where:
bonds (distance) C4'-P energy: -58.577
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -52.799
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -73.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -852.953606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.953606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.953606 (E_RNA)
where:
Base-Base interactions energy: -575.870
where: short stacking energy: -253.758
Base-Backbone interact. energy: -1.290
local terms energy: -275.793577
where:
bonds (distance) C4'-P energy: -51.831
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -78.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -792.722088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.722088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.722088 (E_RNA)
where:
Base-Base interactions energy: -562.213
where: short stacking energy: -238.692
Base-Backbone interact. energy: 0.449
local terms energy: -230.958025
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -31.687
tors. eta vs tors. theta energy: -61.869
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: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -739.690849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.690849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.690849 (E_RNA)
where:
Base-Base interactions energy: -497.082
where: short stacking energy: -213.343
Base-Backbone interact. energy: -0.506
local terms energy: -242.103383
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -50.321
flat angles C4'-P-C4' energy: -50.539
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -57.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -615.063246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.063246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.063246 (E_RNA)
where:
Base-Base interactions energy: -419.398
where: short stacking energy: -167.641
Base-Backbone interact. energy: -0.326
local terms energy: -195.338486
where:
bonds (distance) C4'-P energy: -42.230
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -52.326
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -43.079
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: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -487.795995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.795995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.795995 (E_RNA)
where:
Base-Base interactions energy: -309.904
where: short stacking energy: -131.116
Base-Backbone interact. energy: -0.600
local terms energy: -177.291551
where:
bonds (distance) C4'-P energy: -38.848
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -28.211
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: 281
Temperature: 1.350000
Total energy: -257.666874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.666874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.666874 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -61.625
Base-Backbone interact. energy: -1.249
local terms energy: -155.543049
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: 0.450
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: 282
Temperature: 0.900000
Total energy: -982.555768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.555768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.555768 (E_RNA)
where:
Base-Base interactions energy: -685.992
where: short stacking energy: -295.334
Base-Backbone interact. energy: -1.050
local terms energy: -295.513653
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -56.429
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -89.070
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: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -962.407673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.407673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.407673 (E_RNA)
where:
Base-Base interactions energy: -671.707
where: short stacking energy: -273.284
Base-Backbone interact. energy: -1.594
local terms energy: -289.106747
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -80.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -931.099788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.099788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.099788 (E_RNA)
where:
Base-Base interactions energy: -651.277
where: short stacking energy: -290.405
Base-Backbone interact. energy: -0.786
local terms energy: -279.036613
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -87.178
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: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -835.078641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.078641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.078641 (E_RNA)
where:
Base-Base interactions energy: -576.077
where: short stacking energy: -250.889
Base-Backbone interact. energy: -0.693
local terms energy: -258.308484
where:
bonds (distance) C4'-P energy: -47.639
bonds (distance) P-C4' energy: -53.368
flat angles C4'-P-C4' energy: -51.487
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -67.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -810.108428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.108428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.108428 (E_RNA)
where:
Base-Base interactions energy: -555.522
where: short stacking energy: -243.688
Base-Backbone interact. energy: -0.108
local terms energy: -254.478445
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -67.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -769.705596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.705596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.705596 (E_RNA)
where:
Base-Base interactions energy: -546.090
where: short stacking energy: -226.314
Base-Backbone interact. energy: 0.836
local terms energy: -224.451132
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -54.356
flat angles P-C4'-P energy: -32.108
tors. eta vs tors. theta energy: -57.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -732.093488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.093488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.093488 (E_RNA)
where:
Base-Base interactions energy: -506.526
where: short stacking energy: -232.184
Base-Backbone interact. energy: -0.355
local terms energy: -225.212940
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -48.279
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -62.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -616.161581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.161581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.161581 (E_RNA)
where:
Base-Base interactions energy: -413.404
where: short stacking energy: -170.211
Base-Backbone interact. energy: -0.252
local terms energy: -202.505858
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -51.275
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -468.185329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.185329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.185329 (E_RNA)
where:
Base-Base interactions energy: -283.347
where: short stacking energy: -131.861
Base-Backbone interact. energy: -2.006
local terms energy: -182.831828
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -19.076
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -269.052436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.052436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.052436 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.562
local terms energy: -136.073592
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -34.834
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -0.213
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: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -963.213518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.213518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.213518 (E_RNA)
where:
Base-Base interactions energy: -672.752
where: short stacking energy: -296.747
Base-Backbone interact. energy: -0.871
local terms energy: -289.589887
where:
bonds (distance) C4'-P energy: -55.313
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -42.621
tors. eta vs tors. theta energy: -84.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -938.352124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.352124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.352124 (E_RNA)
where:
Base-Base interactions energy: -644.495
where: short stacking energy: -270.875
Base-Backbone interact. energy: -0.788
local terms energy: -293.068503
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -60.855
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -76.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -937.510717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.510717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.510717 (E_RNA)
where:
Base-Base interactions energy: -646.851
where: short stacking energy: -257.076
Base-Backbone interact. energy: -1.017
local terms energy: -289.642274
where:
bonds (distance) C4'-P energy: -50.355
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -42.190
tors. eta vs tors. theta energy: -80.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -848.054667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.054667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.054667 (E_RNA)
where:
Base-Base interactions energy: -583.106
where: short stacking energy: -257.593
Base-Backbone interact. energy: 1.845
local terms energy: -266.794022
where:
bonds (distance) C4'-P energy: -51.787
bonds (distance) P-C4' energy: -46.512
flat angles C4'-P-C4' energy: -58.057
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -72.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -795.318633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.318633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.318633 (E_RNA)
where:
Base-Base interactions energy: -540.425
where: short stacking energy: -219.569
Base-Backbone interact. energy: 1.268
local terms energy: -256.161779
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -37.478
tors. eta vs tors. theta energy: -63.344
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -762.985299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.985299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.985299 (E_RNA)
where:
Base-Base interactions energy: -529.857
where: short stacking energy: -224.996
Base-Backbone interact. energy: -0.444
local terms energy: -232.683837
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -62.571
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -761.211977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.211977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.211977 (E_RNA)
where:
Base-Base interactions energy: -515.049
where: short stacking energy: -223.337
Base-Backbone interact. energy: -0.173
local terms energy: -245.990565
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -49.874
flat angles C4'-P-C4' energy: -51.017
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -61.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -541.399534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.399534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.399534 (E_RNA)
where:
Base-Base interactions energy: -344.065
where: short stacking energy: -152.404
Base-Backbone interact. energy: -0.883
local terms energy: -196.451488
where:
bonds (distance) C4'-P energy: -58.309
bonds (distance) P-C4' energy: -43.009
flat angles C4'-P-C4' energy: -37.324
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -31.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -548.240485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.240485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.240485 (E_RNA)
where:
Base-Base interactions energy: -347.946
where: short stacking energy: -159.031
Base-Backbone interact. energy: -1.259
local terms energy: -199.034716
where:
bonds (distance) C4'-P energy: -43.469
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -43.651
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -37.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -241.709138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.709138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.709138 (E_RNA)
where:
Base-Base interactions energy: -100.968
where: short stacking energy: -62.493
Base-Backbone interact. energy: 0.874
local terms energy: -141.615731
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -43.503
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: 12.037
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: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -960.472322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.472322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.472322 (E_RNA)
where:
Base-Base interactions energy: -669.146
where: short stacking energy: -290.052
Base-Backbone interact. energy: -0.529
local terms energy: -290.797282
where:
bonds (distance) C4'-P energy: -44.720
bonds (distance) P-C4' energy: -51.849
flat angles C4'-P-C4' energy: -65.280
flat angles P-C4'-P energy: -40.590
tors. eta vs tors. theta energy: -88.358
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: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -942.364825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.364825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.364825 (E_RNA)
where:
Base-Base interactions energy: -661.058
where: short stacking energy: -271.985
Base-Backbone interact. energy: -0.334
local terms energy: -280.972902
where:
bonds (distance) C4'-P energy: -58.043
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -77.078
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -938.216406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.216406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.216406 (E_RNA)
where:
Base-Base interactions energy: -645.371
where: short stacking energy: -274.776
Base-Backbone interact. energy: -0.275
local terms energy: -292.570406
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -42.278
tors. eta vs tors. theta energy: -89.939
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -851.556977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.556977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.556977 (E_RNA)
where:
Base-Base interactions energy: -579.927
where: short stacking energy: -254.941
Base-Backbone interact. energy: -1.099
local terms energy: -270.531458
where:
bonds (distance) C4'-P energy: -56.087
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -53.056
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -72.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -787.654021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.654021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.654021 (E_RNA)
where:
Base-Base interactions energy: -535.373
where: short stacking energy: -237.983
Base-Backbone interact. energy: -0.656
local terms energy: -251.625226
where:
bonds (distance) C4'-P energy: -50.183
bonds (distance) P-C4' energy: -46.322
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -67.230
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -780.479602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.479602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.479602 (E_RNA)
where:
Base-Base interactions energy: -527.328
where: short stacking energy: -224.381
Base-Backbone interact. energy: -0.209
local terms energy: -252.942863
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -37.039
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: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -771.002831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.002831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.002831 (E_RNA)
where:
Base-Base interactions energy: -530.211
where: short stacking energy: -216.712
Base-Backbone interact. energy: -0.135
local terms energy: -240.656409
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -42.691
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -66.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -528.446911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.446911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.446911 (E_RNA)
where:
Base-Base interactions energy: -318.383
where: short stacking energy: -154.078
Base-Backbone interact. energy: -1.439
local terms energy: -208.624490
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -51.856
flat angles C4'-P-C4' energy: -49.347
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -33.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -529.515058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.515058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.515058 (E_RNA)
where:
Base-Base interactions energy: -325.222
where: short stacking energy: -122.495
Base-Backbone interact. energy: -0.488
local terms energy: -203.805236
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -46.296
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -35.166
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -235.156266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.156266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.156266 (E_RNA)
where:
Base-Base interactions energy: -102.900
where: short stacking energy: -70.761
Base-Backbone interact. energy: 0.524
local terms energy: -132.780507
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: 11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -970.643546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.643546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.643546 (E_RNA)
where:
Base-Base interactions energy: -691.057
where: short stacking energy: -297.049
Base-Backbone interact. energy: -1.444
local terms energy: -278.142630
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -58.467
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -85.834
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -945.315968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.315968 (E_RNA)
where:
Base-Base interactions energy: -669.226
where: short stacking energy: -289.464
Base-Backbone interact. energy: 0.342
local terms energy: -276.431276
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -51.508
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -83.964
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -933.772993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.772993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.772993 (E_RNA)
where:
Base-Base interactions energy: -653.540
where: short stacking energy: -264.627
Base-Backbone interact. energy: -0.350
local terms energy: -279.883525
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -77.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -836.948606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.948606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.948606 (E_RNA)
where:
Base-Base interactions energy: -564.393
where: short stacking energy: -235.933
Base-Backbone interact. energy: -0.962
local terms energy: -271.593377
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -54.141
flat angles C4'-P-C4' energy: -62.657
flat angles P-C4'-P energy: -40.798
tors. eta vs tors. theta energy: -68.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -791.538672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.538672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.538672 (E_RNA)
where:
Base-Base interactions energy: -529.326
where: short stacking energy: -225.294
Base-Backbone interact. energy: -0.276
local terms energy: -261.936510
where:
bonds (distance) C4'-P energy: -51.810
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -55.743
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -63.838
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -789.162701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.162701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.162701 (E_RNA)
where:
Base-Base interactions energy: -539.202
where: short stacking energy: -229.280
Base-Backbone interact. energy: -0.626
local terms energy: -249.334732
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -69.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -754.206995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.206995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.206995 (E_RNA)
where:
Base-Base interactions energy: -540.279
where: short stacking energy: -240.294
Base-Backbone interact. energy: -0.448
local terms energy: -213.479590
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -46.151
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -66.593
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: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -603.960579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.960579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.960579 (E_RNA)
where:
Base-Base interactions energy: -407.186
where: short stacking energy: -186.166
Base-Backbone interact. energy: 0.994
local terms energy: -197.769003
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -45.078
flat angles C4'-P-C4' energy: -49.335
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -508.707732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.707732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.707732 (E_RNA)
where:
Base-Base interactions energy: -328.746
where: short stacking energy: -153.026
Base-Backbone interact. energy: -1.977
local terms energy: -177.985022
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -24.644
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: 285
Temperature: 1.350000
Total energy: -249.013582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.013582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.013582 (E_RNA)
where:
Base-Base interactions energy: -95.640
where: short stacking energy: -83.981
Base-Backbone interact. energy: -0.447
local terms energy: -152.926096
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -5.152
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -967.066080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.066080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.066080 (E_RNA)
where:
Base-Base interactions energy: -675.307
where: short stacking energy: -289.101
Base-Backbone interact. energy: -0.378
local terms energy: -291.380956
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -82.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -942.231032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.231032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.231032 (E_RNA)
where:
Base-Base interactions energy: -666.734
where: short stacking energy: -291.992
Base-Backbone interact. energy: -0.389
local terms energy: -275.108731
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -41.323
tors. eta vs tors. theta energy: -83.885
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -931.426676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.426676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.426676 (E_RNA)
where:
Base-Base interactions energy: -656.212
where: short stacking energy: -293.139
Base-Backbone interact. energy: 0.893
local terms energy: -276.107596
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -57.100
flat angles C4'-P-C4' energy: -53.035
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -86.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -840.008609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.008609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.008609 (E_RNA)
where:
Base-Base interactions energy: -602.904
where: short stacking energy: -256.257
Base-Backbone interact. energy: 0.991
local terms energy: -238.095090
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -37.209
flat angles C4'-P-C4' energy: -55.068
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -68.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -798.641842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.641842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.641842 (E_RNA)
where:
Base-Base interactions energy: -542.364
where: short stacking energy: -234.300
Base-Backbone interact. energy: -0.258
local terms energy: -256.020158
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -50.130
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -67.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -816.477289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.477289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.477289 (E_RNA)
where:
Base-Base interactions energy: -572.261
where: short stacking energy: -234.169
Base-Backbone interact. energy: -0.019
local terms energy: -244.197188
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -48.889
flat angles P-C4'-P energy: -34.731
tors. eta vs tors. theta energy: -61.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -763.878838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.878838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.878838 (E_RNA)
where:
Base-Base interactions energy: -517.721
where: short stacking energy: -223.533
Base-Backbone interact. energy: -0.156
local terms energy: -246.001638
where:
bonds (distance) C4'-P energy: -45.902
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -47.781
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -64.338
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -572.848274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.848274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.848274 (E_RNA)
where:
Base-Base interactions energy: -362.222
where: short stacking energy: -168.720
Base-Backbone interact. energy: 0.614
local terms energy: -211.240077
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -43.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -493.494654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.494654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.494654 (E_RNA)
where:
Base-Base interactions energy: -306.348
where: short stacking energy: -140.859
Base-Backbone interact. energy: 0.058
local terms energy: -187.204610
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -28.593
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: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -232.264817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.264817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.264817 (E_RNA)
where:
Base-Base interactions energy: -73.594
where: short stacking energy: -59.616
Base-Backbone interact. energy: 0.613
local terms energy: -159.283765
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -51.815
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: 6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -948.291477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.291477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.291477 (E_RNA)
where:
Base-Base interactions energy: -666.741
where: short stacking energy: -286.424
Base-Backbone interact. energy: -1.553
local terms energy: -279.997620
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -48.941
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: -80.602
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: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -954.129649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.129649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.129649 (E_RNA)
where:
Base-Base interactions energy: -678.877
where: short stacking energy: -300.792
Base-Backbone interact. energy: -0.323
local terms energy: -274.929278
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -62.804
flat angles P-C4'-P energy: -40.327
tors. eta vs tors. theta energy: -84.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -934.315747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.315747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.315747 (E_RNA)
where:
Base-Base interactions energy: -647.500
where: short stacking energy: -288.485
Base-Backbone interact. energy: 1.734
local terms energy: -288.549866
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -51.456
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -88.352
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -832.195697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.195697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.195697 (E_RNA)
where:
Base-Base interactions energy: -570.243
where: short stacking energy: -242.458
Base-Backbone interact. energy: 0.893
local terms energy: -262.846188
where:
bonds (distance) C4'-P energy: -41.542
bonds (distance) P-C4' energy: -56.608
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -38.609
tors. eta vs tors. theta energy: -68.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -829.380304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.380304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.380304 (E_RNA)
where:
Base-Base interactions energy: -577.012
where: short stacking energy: -238.086
Base-Backbone interact. energy: 2.341
local terms energy: -254.708543
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -51.761
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -70.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -811.333934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.333934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.333934 (E_RNA)
where:
Base-Base interactions energy: -565.787
where: short stacking energy: -225.612
Base-Backbone interact. energy: -0.042
local terms energy: -245.504784
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -50.787
flat angles C4'-P-C4' energy: -53.391
flat angles P-C4'-P energy: -34.867
tors. eta vs tors. theta energy: -69.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -744.494603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.494603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.494603 (E_RNA)
where:
Base-Base interactions energy: -505.818
where: short stacking energy: -214.563
Base-Backbone interact. energy: -1.326
local terms energy: -237.350112
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -41.433
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: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -521.815923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.815923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.815923 (E_RNA)
where:
Base-Base interactions energy: -330.507
where: short stacking energy: -160.632
Base-Backbone interact. energy: 0.214
local terms energy: -191.522162
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -40.630
flat angles C4'-P-C4' energy: -48.150
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -557.051765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.051765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.051765 (E_RNA)
where:
Base-Base interactions energy: -366.619
where: short stacking energy: -143.900
Base-Backbone interact. energy: -3.649
local terms energy: -186.783724
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -229.798781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.798781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.798781 (E_RNA)
where:
Base-Base interactions energy: -102.796
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.275
local terms energy: -126.728202
where:
bonds (distance) C4'-P energy: -38.668
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: 17.415
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: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -971.028314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.028314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.028314 (E_RNA)
where:
Base-Base interactions energy: -675.982
where: short stacking energy: -286.782
Base-Backbone interact. energy: -0.449
local terms energy: -294.597079
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -52.792
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: -89.933
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: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -922.201601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.201601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.201601 (E_RNA)
where:
Base-Base interactions energy: -649.582
where: short stacking energy: -264.308
Base-Backbone interact. energy: -0.346
local terms energy: -272.273934
where:
bonds (distance) C4'-P energy: -41.548
bonds (distance) P-C4' energy: -60.214
flat angles C4'-P-C4' energy: -55.482
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -73.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -931.974475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.974475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.974475 (E_RNA)
where:
Base-Base interactions energy: -643.341
where: short stacking energy: -285.414
Base-Backbone interact. energy: -0.155
local terms energy: -288.478963
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -52.283
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -84.899
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -845.565429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.565429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.565429 (E_RNA)
where:
Base-Base interactions energy: -585.683
where: short stacking energy: -244.883
Base-Backbone interact. energy: -0.480
local terms energy: -259.402885
where:
bonds (distance) C4'-P energy: -50.231
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -58.895
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -69.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -807.138391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.138391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.138391 (E_RNA)
where:
Base-Base interactions energy: -566.240
where: short stacking energy: -231.279
Base-Backbone interact. energy: -0.580
local terms energy: -240.318976
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -57.261
flat angles C4'-P-C4' energy: -52.895
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -56.374
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: 288
Temperature: 1.150000
Total energy: -809.504331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.504331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.504331 (E_RNA)
where:
Base-Base interactions energy: -567.744
where: short stacking energy: -252.937
Base-Backbone interact. energy: -0.987
local terms energy: -240.773351
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -47.472
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -61.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -752.379738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.379738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.379738 (E_RNA)
where:
Base-Base interactions energy: -508.562
where: short stacking energy: -225.795
Base-Backbone interact. energy: -0.442
local terms energy: -243.375861
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -28.397
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: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -535.691671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.691671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.691671 (E_RNA)
where:
Base-Base interactions energy: -321.031
where: short stacking energy: -152.380
Base-Backbone interact. energy: -1.668
local terms energy: -212.992871
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -52.675
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -543.732597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.732597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.732597 (E_RNA)
where:
Base-Base interactions energy: -332.062
where: short stacking energy: -142.771
Base-Backbone interact. energy: 3.136
local terms energy: -214.806245
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -52.930
flat angles C4'-P-C4' energy: -50.871
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -33.578
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: 288
Temperature: 1.350000
Total energy: -221.475969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.475969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.475969 (E_RNA)
where:
Base-Base interactions energy: -86.258
where: short stacking energy: -69.975
Base-Backbone interact. energy: 2.466
local terms energy: -137.683699
where:
bonds (distance) C4'-P energy: -42.534
bonds (distance) P-C4' energy: -47.533
flat angles C4'-P-C4' energy: -33.957
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: 12.121
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: 289
Temperature: 0.900000
Total energy: -968.250393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.250393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.250393 (E_RNA)
where:
Base-Base interactions energy: -673.425
where: short stacking energy: -288.913
Base-Backbone interact. energy: -0.583
local terms energy: -294.241841
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -53.762
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -943.652553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.652553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.652553 (E_RNA)
where:
Base-Base interactions energy: -662.109
where: short stacking energy: -294.855
Base-Backbone interact. energy: 2.254
local terms energy: -283.797457
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -45.174
flat angles C4'-P-C4' energy: -65.775
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -81.939
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -917.506685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.506685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.506685 (E_RNA)
where:
Base-Base interactions energy: -631.183
where: short stacking energy: -267.056
Base-Backbone interact. energy: -1.371
local terms energy: -284.952773
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -57.965
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -81.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -852.027283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.027283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.027283 (E_RNA)
where:
Base-Base interactions energy: -578.204
where: short stacking energy: -253.872
Base-Backbone interact. energy: -1.079
local terms energy: -272.744753
where:
bonds (distance) C4'-P energy: -47.267
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -74.587
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: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -847.215145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.215145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.215145 (E_RNA)
where:
Base-Base interactions energy: -596.601
where: short stacking energy: -261.415
Base-Backbone interact. energy: 1.206
local terms energy: -251.820229
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -54.250
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -73.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -803.101970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.101970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.101970 (E_RNA)
where:
Base-Base interactions energy: -544.472
where: short stacking energy: -237.480
Base-Backbone interact. energy: -0.844
local terms energy: -257.786153
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -66.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -740.929723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.929723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.929723 (E_RNA)
where:
Base-Base interactions energy: -509.817
where: short stacking energy: -211.628
Base-Backbone interact. energy: -0.422
local terms energy: -230.691342
where:
bonds (distance) C4'-P energy: -57.441
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -35.190
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: 289
Temperature: 1.250000
Total energy: -540.649779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.649779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.649779 (E_RNA)
where:
Base-Base interactions energy: -350.746
where: short stacking energy: -158.219
Base-Backbone interact. energy: 1.737
local terms energy: -191.641550
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -45.355
flat angles P-C4'-P energy: -24.834
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: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -603.461560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.461560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.461560 (E_RNA)
where:
Base-Base interactions energy: -391.491
where: short stacking energy: -156.851
Base-Backbone interact. energy: -0.498
local terms energy: -211.472327
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -52.045
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -234.133993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.133993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.133993 (E_RNA)
where:
Base-Base interactions energy: -101.955
where: short stacking energy: -79.994
Base-Backbone interact. energy: -0.935
local terms energy: -131.244012
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: 5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -973.244296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.244296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.244296 (E_RNA)
where:
Base-Base interactions energy: -674.863
where: short stacking energy: -292.030
Base-Backbone interact. energy: -0.825
local terms energy: -297.556751
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -54.183
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -87.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -937.816106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.816106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.816106 (E_RNA)
where:
Base-Base interactions energy: -647.451
where: short stacking energy: -290.272
Base-Backbone interact. energy: -1.796
local terms energy: -288.569141
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -57.774
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -78.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -906.128524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.128524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.128524 (E_RNA)
where:
Base-Base interactions energy: -616.331
where: short stacking energy: -260.650
Base-Backbone interact. energy: -0.903
local terms energy: -288.894243
where:
bonds (distance) C4'-P energy: -54.890
bonds (distance) P-C4' energy: -52.074
flat angles C4'-P-C4' energy: -60.400
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -84.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -808.590971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.590971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.590971 (E_RNA)
where:
Base-Base interactions energy: -561.840
where: short stacking energy: -242.995
Base-Backbone interact. energy: -0.270
local terms energy: -246.481395
where:
bonds (distance) C4'-P energy: -46.080
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -53.294
flat angles P-C4'-P energy: -32.867
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -829.399453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.399453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.399453 (E_RNA)
where:
Base-Base interactions energy: -570.895
where: short stacking energy: -260.863
Base-Backbone interact. energy: -0.432
local terms energy: -258.072450
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -72.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -792.072775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.072775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.072775 (E_RNA)
where:
Base-Base interactions energy: -557.325
where: short stacking energy: -240.186
Base-Backbone interact. energy: -0.487
local terms energy: -234.260362
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -40.308
flat angles C4'-P-C4' energy: -51.938
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -65.622
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -739.690747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.690747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.690747 (E_RNA)
where:
Base-Base interactions energy: -529.525
where: short stacking energy: -220.629
Base-Backbone interact. energy: -0.750
local terms energy: -209.415237
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -45.809
flat angles P-C4'-P energy: -32.328
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: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -578.111679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.111679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.111679 (E_RNA)
where:
Base-Base interactions energy: -378.531
where: short stacking energy: -164.315
Base-Backbone interact. energy: 1.047
local terms energy: -200.628249
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -34.565
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: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -599.407320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.407320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.407320 (E_RNA)
where:
Base-Base interactions energy: -399.197
where: short stacking energy: -170.467
Base-Backbone interact. energy: -1.170
local terms energy: -199.040440
where:
bonds (distance) C4'-P energy: -45.175
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -55.998
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -40.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -239.410534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.410534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.410534 (E_RNA)
where:
Base-Base interactions energy: -100.878
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.858
local terms energy: -137.674686
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: 7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -973.308147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.308147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.308147 (E_RNA)
where:
Base-Base interactions energy: -680.323
where: short stacking energy: -305.702
Base-Backbone interact. energy: -1.741
local terms energy: -291.243900
where:
bonds (distance) C4'-P energy: -55.754
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: -88.850
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: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -951.580720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.580720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.580720 (E_RNA)
where:
Base-Base interactions energy: -660.153
where: short stacking energy: -275.058
Base-Backbone interact. energy: -1.572
local terms energy: -289.856262
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -52.985
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -82.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -925.020609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.020609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.020609 (E_RNA)
where:
Base-Base interactions energy: -660.815
where: short stacking energy: -273.571
Base-Backbone interact. energy: -0.393
local terms energy: -263.812009
where:
bonds (distance) C4'-P energy: -46.976
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -52.853
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -76.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -830.121341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.121341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.121341 (E_RNA)
where:
Base-Base interactions energy: -565.044
where: short stacking energy: -252.521
Base-Backbone interact. energy: -0.202
local terms energy: -264.875839
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -61.500
flat angles P-C4'-P energy: -40.048
tors. eta vs tors. theta energy: -65.075
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -766.538101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.538101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.538101 (E_RNA)
where:
Base-Base interactions energy: -527.481
where: short stacking energy: -233.312
Base-Backbone interact. energy: 1.643
local terms energy: -240.700290
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -50.916
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -55.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -718.582028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.582028 (E_RNA)
where:
Base-Base interactions energy: -490.506
where: short stacking energy: -193.942
Base-Backbone interact. energy: -0.708
local terms energy: -227.367300
where:
bonds (distance) C4'-P energy: -43.466
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -37.408
tors. eta vs tors. theta energy: -52.273
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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -743.603814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.603814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.603814 (E_RNA)
where:
Base-Base interactions energy: -520.334
where: short stacking energy: -228.221
Base-Backbone interact. energy: 1.840
local terms energy: -225.109989
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -53.946
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -601.776367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.776367 (E_RNA)
where:
Base-Base interactions energy: -408.562
where: short stacking energy: -173.592
Base-Backbone interact. energy: 1.981
local terms energy: -195.194944
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -58.621
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -594.124793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.124793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.124793 (E_RNA)
where:
Base-Base interactions energy: -395.048
where: short stacking energy: -177.665
Base-Backbone interact. energy: -1.266
local terms energy: -197.811499
where:
bonds (distance) C4'-P energy: -44.164
bonds (distance) P-C4' energy: -41.256
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -32.045
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -264.026008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.026008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.026008 (E_RNA)
where:
Base-Base interactions energy: -120.333
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.469
local terms energy: -143.224061
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -20.148
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: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -960.883795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.883795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.883795 (E_RNA)
where:
Base-Base interactions energy: -661.241
where: short stacking energy: -288.123
Base-Backbone interact. energy: 1.215
local terms energy: -300.858017
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -56.372
flat angles C4'-P-C4' energy: -62.727
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: -81.711
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -953.440986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.440986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.440986 (E_RNA)
where:
Base-Base interactions energy: -681.674
where: short stacking energy: -290.378
Base-Backbone interact. energy: -1.143
local terms energy: -270.623513
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -53.382
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -84.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -927.190107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.190107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.190107 (E_RNA)
where:
Base-Base interactions energy: -658.663
where: short stacking energy: -277.695
Base-Backbone interact. energy: -0.114
local terms energy: -268.413669
where:
bonds (distance) C4'-P energy: -45.813
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -83.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -847.550704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.550704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.550704 (E_RNA)
where:
Base-Base interactions energy: -587.468
where: short stacking energy: -256.792
Base-Backbone interact. energy: -0.890
local terms energy: -259.192383
where:
bonds (distance) C4'-P energy: -44.430
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -36.458
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -783.389023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.389023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.389023 (E_RNA)
where:
Base-Base interactions energy: -530.077
where: short stacking energy: -235.408
Base-Backbone interact. energy: -0.775
local terms energy: -252.536654
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -57.419
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -67.802
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -732.459264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.459264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.459264 (E_RNA)
where:
Base-Base interactions energy: -492.160
where: short stacking energy: -208.304
Base-Backbone interact. energy: -1.028
local terms energy: -239.271683
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -58.844
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -58.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -751.664638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.664638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.664638 (E_RNA)
where:
Base-Base interactions energy: -517.568
where: short stacking energy: -211.353
Base-Backbone interact. energy: -0.543
local terms energy: -233.553531
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -53.366
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -55.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -598.929741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.929741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.929741 (E_RNA)
where:
Base-Base interactions energy: -384.855
where: short stacking energy: -169.208
Base-Backbone interact. energy: 1.497
local terms energy: -215.571314
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -34.091
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: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -593.641283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.641283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.641283 (E_RNA)
where:
Base-Base interactions energy: -398.830
where: short stacking energy: -192.124
Base-Backbone interact. energy: -0.114
local terms energy: -194.697966
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -44.615
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -40.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -229.127017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127017 (E_RNA)
where:
Base-Base interactions energy: -77.476
where: short stacking energy: -51.958
Base-Backbone interact. energy: -0.254
local terms energy: -151.397699
where:
bonds (distance) C4'-P energy: -39.967
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -34.087
tors. eta vs tors. theta energy: 12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -959.041463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.041463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.041463 (E_RNA)
where:
Base-Base interactions energy: -668.747
where: short stacking energy: -288.971
Base-Backbone interact. energy: 0.143
local terms energy: -290.438023
where:
bonds (distance) C4'-P energy: -51.471
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -64.668
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -83.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -937.087605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.087605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.087605 (E_RNA)
where:
Base-Base interactions energy: -660.489
where: short stacking energy: -273.308
Base-Backbone interact. energy: -2.124
local terms energy: -274.474537
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -81.095
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: 293
Temperature: 1.000000
Total energy: -915.793578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.793578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.793578 (E_RNA)
where:
Base-Base interactions energy: -628.022
where: short stacking energy: -268.042
Base-Backbone interact. energy: -1.620
local terms energy: -286.150859
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -51.178
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -43.205
tors. eta vs tors. theta energy: -83.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -834.656516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.656516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.656516 (E_RNA)
where:
Base-Base interactions energy: -555.579
where: short stacking energy: -241.250
Base-Backbone interact. energy: -1.270
local terms energy: -277.808001
where:
bonds (distance) C4'-P energy: -53.382
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -71.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -768.566521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.566521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.566521 (E_RNA)
where:
Base-Base interactions energy: -534.202
where: short stacking energy: -223.041
Base-Backbone interact. energy: -0.346
local terms energy: -234.018611
where:
bonds (distance) C4'-P energy: -47.866
bonds (distance) P-C4' energy: -45.439
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -32.585
tors. eta vs tors. theta energy: -63.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -787.386672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.386672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.386672 (E_RNA)
where:
Base-Base interactions energy: -551.288
where: short stacking energy: -227.189
Base-Backbone interact. energy: 0.842
local terms energy: -236.941554
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -54.419
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -55.925
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: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -742.809225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.809225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.809225 (E_RNA)
where:
Base-Base interactions energy: -504.263
where: short stacking energy: -217.987
Base-Backbone interact. energy: -0.453
local terms energy: -238.094029
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -65.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -582.910340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.910340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.910340 (E_RNA)
where:
Base-Base interactions energy: -374.491
where: short stacking energy: -171.598
Base-Backbone interact. energy: -1.312
local terms energy: -207.106879
where:
bonds (distance) C4'-P energy: -47.609
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -41.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -627.579743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.579743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.579743 (E_RNA)
where:
Base-Base interactions energy: -415.379
where: short stacking energy: -180.743
Base-Backbone interact. energy: 3.085
local terms energy: -215.285752
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -49.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -220.038636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.038636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038636 (E_RNA)
where:
Base-Base interactions energy: -90.505
where: short stacking energy: -66.254
Base-Backbone interact. energy: 3.689
local terms energy: -133.223121
where:
bonds (distance) C4'-P energy: -42.418
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: 5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -982.827282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.827282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.827282 (E_RNA)
where:
Base-Base interactions energy: -689.321
where: short stacking energy: -296.745
Base-Backbone interact. energy: -1.753
local terms energy: -291.752730
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -84.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -930.541864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.541864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.541864 (E_RNA)
where:
Base-Base interactions energy: -653.013
where: short stacking energy: -284.046
Base-Backbone interact. energy: -0.696
local terms energy: -276.832847
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -84.359
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: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -929.510931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.510931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.510931 (E_RNA)
where:
Base-Base interactions energy: -657.700
where: short stacking energy: -253.355
Base-Backbone interact. energy: -0.574
local terms energy: -271.236989
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -54.221
flat angles C4'-P-C4' energy: -56.150
flat angles P-C4'-P energy: -33.171
tors. eta vs tors. theta energy: -76.016
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: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -823.517248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.517248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.517248 (E_RNA)
where:
Base-Base interactions energy: -556.249
where: short stacking energy: -243.291
Base-Backbone interact. energy: -0.445
local terms energy: -266.823513
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -72.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -843.075177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.075177 (E_RNA)
where:
Base-Base interactions energy: -583.322
where: short stacking energy: -265.735
Base-Backbone interact. energy: -0.544
local terms energy: -259.208505
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -73.208
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -756.357369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.357369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.357369 (E_RNA)
where:
Base-Base interactions energy: -527.178
where: short stacking energy: -210.196
Base-Backbone interact. energy: 0.183
local terms energy: -229.362177
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: -57.098
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: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -754.429681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.429681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.429681 (E_RNA)
where:
Base-Base interactions energy: -501.109
where: short stacking energy: -213.683
Base-Backbone interact. energy: -0.756
local terms energy: -252.564408
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -28.418
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: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -586.028539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.028539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.028539 (E_RNA)
where:
Base-Base interactions energy: -376.731
where: short stacking energy: -173.943
Base-Backbone interact. energy: -2.631
local terms energy: -206.667288
where:
bonds (distance) C4'-P energy: -40.025
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -577.609335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.609335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.609335 (E_RNA)
where:
Base-Base interactions energy: -383.832
where: short stacking energy: -170.734
Base-Backbone interact. energy: -1.045
local terms energy: -192.731978
where:
bonds (distance) C4'-P energy: -35.009
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -30.491
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -45.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -246.754160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.754160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.754160 (E_RNA)
where:
Base-Base interactions energy: -93.966
where: short stacking energy: -83.969
Base-Backbone interact. energy: -0.788
local terms energy: -151.999673
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -26.722
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: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -982.172660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.172660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.172660 (E_RNA)
where:
Base-Base interactions energy: -693.468
where: short stacking energy: -287.366
Base-Backbone interact. energy: -0.938
local terms energy: -287.766864
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -58.643
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -86.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -922.452166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.452166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.452166 (E_RNA)
where:
Base-Base interactions energy: -639.147
where: short stacking energy: -272.636
Base-Backbone interact. energy: 0.355
local terms energy: -283.659848
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -45.040
flat angles C4'-P-C4' energy: -63.514
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -81.380
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -925.866422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.866422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.866422 (E_RNA)
where:
Base-Base interactions energy: -639.443
where: short stacking energy: -276.300
Base-Backbone interact. energy: -0.517
local terms energy: -285.906091
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -59.613
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -82.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -881.507282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.507282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.507282 (E_RNA)
where:
Base-Base interactions energy: -610.299
where: short stacking energy: -271.975
Base-Backbone interact. energy: 6.308
local terms energy: -277.517021
where:
bonds (distance) C4'-P energy: -55.231
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -79.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -798.701683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.701683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.701683 (E_RNA)
where:
Base-Base interactions energy: -534.566
where: short stacking energy: -235.565
Base-Backbone interact. energy: -0.074
local terms energy: -264.061897
where:
bonds (distance) C4'-P energy: -48.820
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -64.640
flat angles P-C4'-P energy: -31.961
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -747.847526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.847526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.847526 (E_RNA)
where:
Base-Base interactions energy: -501.797
where: short stacking energy: -195.143
Base-Backbone interact. energy: -0.499
local terms energy: -245.551096
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -52.462
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -63.893
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: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -718.870880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.870880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.870880 (E_RNA)
where:
Base-Base interactions energy: -488.445
where: short stacking energy: -200.417
Base-Backbone interact. energy: -1.007
local terms energy: -229.419121
where:
bonds (distance) C4'-P energy: -43.928
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -49.893
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -52.162
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: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -598.842008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.842008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.842008 (E_RNA)
where:
Base-Base interactions energy: -381.896
where: short stacking energy: -176.193
Base-Backbone interact. energy: -0.884
local terms energy: -216.061899
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -47.077
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -47.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -600.922870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.922870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.922870 (E_RNA)
where:
Base-Base interactions energy: -385.223
where: short stacking energy: -183.744
Base-Backbone interact. energy: 1.060
local terms energy: -216.760158
where:
bonds (distance) C4'-P energy: -46.309
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -48.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -237.029680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.029680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.029680 (E_RNA)
where:
Base-Base interactions energy: -82.106
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.576
local terms energy: -154.348339
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -39.465
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: 5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -963.284653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.284653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.284653 (E_RNA)
where:
Base-Base interactions energy: -682.050
where: short stacking energy: -286.608
Base-Backbone interact. energy: 0.343
local terms energy: -281.577797
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: -81.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -959.794743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.794743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.794743 (E_RNA)
where:
Base-Base interactions energy: -670.144
where: short stacking energy: -292.347
Base-Backbone interact. energy: -1.048
local terms energy: -288.603267
where:
bonds (distance) C4'-P energy: -53.093
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -80.104
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: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -910.288238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.288238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.288238 (E_RNA)
where:
Base-Base interactions energy: -638.678
where: short stacking energy: -264.398
Base-Backbone interact. energy: 0.625
local terms energy: -272.235677
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -79.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -840.069985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.069985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.069985 (E_RNA)
where:
Base-Base interactions energy: -589.899
where: short stacking energy: -239.116
Base-Backbone interact. energy: -0.924
local terms energy: -249.246936
where:
bonds (distance) C4'-P energy: -47.515
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -55.794
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: -70.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -795.926660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.926660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.926660 (E_RNA)
where:
Base-Base interactions energy: -533.045
where: short stacking energy: -232.623
Base-Backbone interact. energy: -0.884
local terms energy: -261.998013
where:
bonds (distance) C4'-P energy: -42.528
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -63.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -770.828003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.828003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.828003 (E_RNA)
where:
Base-Base interactions energy: -527.324
where: short stacking energy: -224.475
Base-Backbone interact. energy: 0.183
local terms energy: -243.686925
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -48.848
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -32.405
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: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -752.545973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.545973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.545973 (E_RNA)
where:
Base-Base interactions energy: -512.317
where: short stacking energy: -217.772
Base-Backbone interact. energy: -0.529
local terms energy: -239.700049
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -44.242
flat angles C4'-P-C4' energy: -51.920
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -64.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -592.493699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.493699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.493699 (E_RNA)
where:
Base-Base interactions energy: -379.722
where: short stacking energy: -177.301
Base-Backbone interact. energy: -0.880
local terms energy: -211.891660
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -45.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -595.045536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.045536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.045536 (E_RNA)
where:
Base-Base interactions energy: -386.103
where: short stacking energy: -172.102
Base-Backbone interact. energy: -0.025
local terms energy: -208.917340
where:
bonds (distance) C4'-P energy: -52.978
bonds (distance) P-C4' energy: -39.875
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -40.497
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: 296
Temperature: 1.350000
Total energy: -214.887872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.887872 (E_RNA)
where:
Base-Base interactions energy: -72.913
where: short stacking energy: -72.849
Base-Backbone interact. energy: 0.871
local terms energy: -142.845427
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -41.616
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -976.803842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.803842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.803842 (E_RNA)
where:
Base-Base interactions energy: -671.198
where: short stacking energy: -288.091
Base-Backbone interact. energy: -1.601
local terms energy: -304.004977
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -84.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -948.394441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.394441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.394441 (E_RNA)
where:
Base-Base interactions energy: -662.756
where: short stacking energy: -285.170
Base-Backbone interact. energy: -0.460
local terms energy: -285.179151
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -55.992
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -85.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -919.441444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.441444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.441444 (E_RNA)
where:
Base-Base interactions energy: -650.442
where: short stacking energy: -270.421
Base-Backbone interact. energy: -1.081
local terms energy: -267.918305
where:
bonds (distance) C4'-P energy: -45.610
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -80.872
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: 297
Temperature: 1.050000
Total energy: -826.650519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.650519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.650519 (E_RNA)
where:
Base-Base interactions energy: -575.125
where: short stacking energy: -257.587
Base-Backbone interact. energy: -0.270
local terms energy: -251.255777
where:
bonds (distance) C4'-P energy: -45.809
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -56.926
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -72.933
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: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -812.615540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.615540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.615540 (E_RNA)
where:
Base-Base interactions energy: -551.425
where: short stacking energy: -240.322
Base-Backbone interact. energy: -0.530
local terms energy: -260.660196
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -44.319
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -61.208
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: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -774.387149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.387149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.387149 (E_RNA)
where:
Base-Base interactions energy: -535.882
where: short stacking energy: -231.514
Base-Backbone interact. energy: -0.977
local terms energy: -237.528459
where:
bonds (distance) C4'-P energy: -43.241
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -49.488
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -60.442
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: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -739.080438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.080438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.080438 (E_RNA)
where:
Base-Base interactions energy: -503.435
where: short stacking energy: -215.306
Base-Backbone interact. energy: -1.464
local terms energy: -234.181629
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -46.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -617.541093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.541093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.541093 (E_RNA)
where:
Base-Base interactions energy: -390.587
where: short stacking energy: -182.739
Base-Backbone interact. energy: 0.955
local terms energy: -227.909375
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -47.518
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -49.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -580.910919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.910919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.910919 (E_RNA)
where:
Base-Base interactions energy: -382.737
where: short stacking energy: -165.581
Base-Backbone interact. energy: -1.004
local terms energy: -197.169770
where:
bonds (distance) C4'-P energy: -37.858
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -42.597
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -45.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -225.195578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.195578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.195578 (E_RNA)
where:
Base-Base interactions energy: -88.129
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.688
local terms energy: -136.379048
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: 2.111
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: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -961.258079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.258079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.258079 (E_RNA)
where:
Base-Base interactions energy: -656.987
where: short stacking energy: -280.781
Base-Backbone interact. energy: -1.452
local terms energy: -302.818859
where:
bonds (distance) C4'-P energy: -58.515
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -61.794
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -84.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -943.771855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.771855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.771855 (E_RNA)
where:
Base-Base interactions energy: -655.179
where: short stacking energy: -281.446
Base-Backbone interact. energy: 0.083
local terms energy: -288.676079
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -60.546
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -82.584
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: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -930.809972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.809972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.809972 (E_RNA)
where:
Base-Base interactions energy: -653.042
where: short stacking energy: -262.002
Base-Backbone interact. energy: -0.894
local terms energy: -276.873632
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -39.358
tors. eta vs tors. theta energy: -78.588
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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -857.412032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.412032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.412032 (E_RNA)
where:
Base-Base interactions energy: -598.145
where: short stacking energy: -253.872
Base-Backbone interact. energy: 1.794
local terms energy: -261.061538
where:
bonds (distance) C4'-P energy: -40.155
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -72.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -832.226663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.226663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.226663 (E_RNA)
where:
Base-Base interactions energy: -569.614
where: short stacking energy: -258.283
Base-Backbone interact. energy: 0.194
local terms energy: -262.806766
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -55.694
flat angles C4'-P-C4' energy: -50.257
flat angles P-C4'-P energy: -45.224
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: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -753.473678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.473678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.473678 (E_RNA)
where:
Base-Base interactions energy: -529.368
where: short stacking energy: -224.054
Base-Backbone interact. energy: -0.339
local terms energy: -223.766170
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -55.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -756.837717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.837717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.837717 (E_RNA)
where:
Base-Base interactions energy: -527.127
where: short stacking energy: -213.370
Base-Backbone interact. energy: -0.187
local terms energy: -229.523959
where:
bonds (distance) C4'-P energy: -36.308
bonds (distance) P-C4' energy: -46.026
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -55.737
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: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -648.983495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.983495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.983495 (E_RNA)
where:
Base-Base interactions energy: -431.973
where: short stacking energy: -191.067
Base-Backbone interact. energy: -1.723
local terms energy: -215.287545
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -56.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -561.231364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.231364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.231364 (E_RNA)
where:
Base-Base interactions energy: -363.931
where: short stacking energy: -165.455
Base-Backbone interact. energy: -0.943
local terms energy: -196.357762
where:
bonds (distance) C4'-P energy: -40.869
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -43.311
flat angles P-C4'-P energy: -28.583
tors. eta vs tors. theta energy: -36.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -235.728552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.728552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.728552 (E_RNA)
where:
Base-Base interactions energy: -100.789
where: short stacking energy: -75.972
Base-Backbone interact. energy: 3.198
local terms energy: -138.137858
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: 6.619
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: 299
Temperature: 0.900000
Total energy: -961.677688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.677688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.677688 (E_RNA)
where:
Base-Base interactions energy: -670.964
where: short stacking energy: -286.397
Base-Backbone interact. energy: -0.233
local terms energy: -290.480438
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -52.663
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -945.123646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.123646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.123646 (E_RNA)
where:
Base-Base interactions energy: -653.714
where: short stacking energy: -289.268
Base-Backbone interact. energy: -1.325
local terms energy: -290.085164
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -57.906
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -84.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -937.417273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.417273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.417273 (E_RNA)
where:
Base-Base interactions energy: -642.600
where: short stacking energy: -271.228
Base-Backbone interact. energy: 0.153
local terms energy: -294.970220
where:
bonds (distance) C4'-P energy: -53.700
bonds (distance) P-C4' energy: -56.608
flat angles C4'-P-C4' energy: -63.038
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -85.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -852.739373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.739373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.739373 (E_RNA)
where:
Base-Base interactions energy: -589.416
where: short stacking energy: -251.100
Base-Backbone interact. energy: -1.016
local terms energy: -262.307592
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -71.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -817.641472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.641472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.641472 (E_RNA)
where:
Base-Base interactions energy: -556.908
where: short stacking energy: -247.953
Base-Backbone interact. energy: 0.482
local terms energy: -261.214981
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -49.234
flat angles C4'-P-C4' energy: -51.563
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -71.832
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: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -756.855783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.855783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.855783 (E_RNA)
where:
Base-Base interactions energy: -500.987
where: short stacking energy: -205.086
Base-Backbone interact. energy: 3.790
local terms energy: -259.658220
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -56.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -742.765760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.765760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.765760 (E_RNA)
where:
Base-Base interactions energy: -512.211
where: short stacking energy: -211.508
Base-Backbone interact. energy: -0.502
local terms energy: -230.052529
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -56.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -611.232914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.232914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.232914 (E_RNA)
where:
Base-Base interactions energy: -393.156
where: short stacking energy: -171.017
Base-Backbone interact. energy: -0.817
local terms energy: -217.259169
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -537.270243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.270243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.270243 (E_RNA)
where:
Base-Base interactions energy: -322.860
where: short stacking energy: -145.972
Base-Backbone interact. energy: 2.773
local terms energy: -217.183927
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -52.408
flat angles C4'-P-C4' energy: -51.342
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -38.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -218.385825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.385825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.385825 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -58.234
Base-Backbone interact. energy: 0.037
local terms energy: -139.403294
where:
bonds (distance) C4'-P energy: -47.857
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -37.188
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: 4.786
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: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -968.225637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.225637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.225637 (E_RNA)
where:
Base-Base interactions energy: -663.001
where: short stacking energy: -293.341
Base-Backbone interact. energy: -1.230
local terms energy: -303.994218
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -88.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -936.990513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.990513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.990513 (E_RNA)
where:
Base-Base interactions energy: -638.518
where: short stacking energy: -271.799
Base-Backbone interact. energy: -2.337
local terms energy: -296.135519
where:
bonds (distance) C4'-P energy: -54.233
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -83.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -924.245852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.245852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.245852 (E_RNA)
where:
Base-Base interactions energy: -635.470
where: short stacking energy: -291.804
Base-Backbone interact. energy: 0.569
local terms energy: -289.344214
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -47.076
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -94.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -846.957091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.957091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.957091 (E_RNA)
where:
Base-Base interactions energy: -586.315
where: short stacking energy: -257.202
Base-Backbone interact. energy: -1.386
local terms energy: -259.255519
where:
bonds (distance) C4'-P energy: -47.403
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -71.731
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: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -807.916249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.916249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.916249 (E_RNA)
where:
Base-Base interactions energy: -565.302
where: short stacking energy: -255.423
Base-Backbone interact. energy: -0.220
local terms energy: -242.394118
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -51.212
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -63.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -760.605704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.605704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.605704 (E_RNA)
where:
Base-Base interactions energy: -532.199
where: short stacking energy: -231.344
Base-Backbone interact. energy: 8.329
local terms energy: -236.735151
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -68.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -723.841254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.841254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.841254 (E_RNA)
where:
Base-Base interactions energy: -477.668
where: short stacking energy: -206.892
Base-Backbone interact. energy: -1.262
local terms energy: -244.911388
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -51.621
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -609.247438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.247438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.247438 (E_RNA)
where:
Base-Base interactions energy: -387.517
where: short stacking energy: -179.924
Base-Backbone interact. energy: 0.138
local terms energy: -221.868501
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -34.028
tors. eta vs tors. theta energy: -49.051
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: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -519.738834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.738834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.738834 (E_RNA)
where:
Base-Base interactions energy: -338.670
where: short stacking energy: -143.137
Base-Backbone interact. energy: -1.192
local terms energy: -179.876267
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -37.750
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: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -239.050446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.050446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.050446 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -72.318
Base-Backbone interact. energy: -0.503
local terms energy: -127.658508
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -52.639
flat angles C4'-P-C4' energy: -40.022
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: 5.247
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: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -969.624854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.624854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.624854 (E_RNA)
where:
Base-Base interactions energy: -681.691
where: short stacking energy: -295.363
Base-Backbone interact. energy: -1.395
local terms energy: -286.539182
where:
bonds (distance) C4'-P energy: -44.436
bonds (distance) P-C4' energy: -55.332
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -86.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -914.142045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.142045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.142045 (E_RNA)
where:
Base-Base interactions energy: -630.677
where: short stacking energy: -286.539
Base-Backbone interact. energy: -0.880
local terms energy: -282.584991
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -54.877
flat angles C4'-P-C4' energy: -61.283
flat angles P-C4'-P energy: -39.583
tors. eta vs tors. theta energy: -82.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -923.251091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.251091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.251091 (E_RNA)
where:
Base-Base interactions energy: -642.536
where: short stacking energy: -262.069
Base-Backbone interact. energy: 1.048
local terms energy: -281.762489
where:
bonds (distance) C4'-P energy: -53.151
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -59.544
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -81.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -851.271820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.271820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.271820 (E_RNA)
where:
Base-Base interactions energy: -594.406
where: short stacking energy: -255.971
Base-Backbone interact. energy: -0.959
local terms energy: -255.906360
where:
bonds (distance) C4'-P energy: -51.527
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -66.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -816.728521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.728521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.728521 (E_RNA)
where:
Base-Base interactions energy: -553.975
where: short stacking energy: -242.457
Base-Backbone interact. energy: -0.226
local terms energy: -262.528012
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -76.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -745.683185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.683185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.683185 (E_RNA)
where:
Base-Base interactions energy: -504.812
where: short stacking energy: -218.874
Base-Backbone interact. energy: -0.253
local terms energy: -240.618276
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -51.835
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -58.911
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: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -754.194039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.194039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.194039 (E_RNA)
where:
Base-Base interactions energy: -525.140
where: short stacking energy: -224.000
Base-Backbone interact. energy: -0.977
local terms energy: -228.077281
where:
bonds (distance) C4'-P energy: -51.266
bonds (distance) P-C4' energy: -35.151
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -54.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -575.660341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.660341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.660341 (E_RNA)
where:
Base-Base interactions energy: -373.522
where: short stacking energy: -153.726
Base-Backbone interact. energy: 0.896
local terms energy: -203.034340
where:
bonds (distance) C4'-P energy: -38.103
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -39.463
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: 301
Temperature: 1.300000
Total energy: -504.477514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.477514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.477514 (E_RNA)
where:
Base-Base interactions energy: -321.177
where: short stacking energy: -152.116
Base-Backbone interact. energy: -0.567
local terms energy: -182.733854
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -37.281
flat angles P-C4'-P energy: -26.242
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: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -219.901828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.901828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.901828 (E_RNA)
where:
Base-Base interactions energy: -80.640
where: short stacking energy: -58.451
Base-Backbone interact. energy: -1.931
local terms energy: -137.330354
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -40.294
flat angles C4'-P-C4' energy: -49.069
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: 7.433
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: 302
Temperature: 0.900000
Total energy: -968.062689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.062689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.062689 (E_RNA)
where:
Base-Base interactions energy: -668.446
where: short stacking energy: -292.744
Base-Backbone interact. energy: -0.578
local terms energy: -299.038932
where:
bonds (distance) C4'-P energy: -55.948
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -82.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -916.731397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.731397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.731397 (E_RNA)
where:
Base-Base interactions energy: -620.711
where: short stacking energy: -277.070
Base-Backbone interact. energy: -1.832
local terms energy: -294.188372
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -50.803
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -81.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -902.054916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.054916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.054916 (E_RNA)
where:
Base-Base interactions energy: -623.359
where: short stacking energy: -255.658
Base-Backbone interact. energy: -1.115
local terms energy: -277.581808
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -52.788
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -74.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -864.669907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.669907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.669907 (E_RNA)
where:
Base-Base interactions energy: -607.639
where: short stacking energy: -269.249
Base-Backbone interact. energy: 0.152
local terms energy: -257.182243
where:
bonds (distance) C4'-P energy: -44.850
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -77.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -789.259750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.259750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.259750 (E_RNA)
where:
Base-Base interactions energy: -534.471
where: short stacking energy: -241.885
Base-Backbone interact. energy: 1.141
local terms energy: -255.929466
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -51.515
flat angles P-C4'-P energy: -36.650
tors. eta vs tors. theta energy: -73.318
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: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -804.144992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.144992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.144992 (E_RNA)
where:
Base-Base interactions energy: -559.482
where: short stacking energy: -236.789
Base-Backbone interact. energy: -1.025
local terms energy: -243.638363
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -33.564
flat angles C4'-P-C4' energy: -49.335
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -66.736
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: 302
Temperature: 1.200000
Total energy: -745.637148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.637148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.637148 (E_RNA)
where:
Base-Base interactions energy: -517.030
where: short stacking energy: -225.439
Base-Backbone interact. energy: -0.570
local terms energy: -228.037459
where:
bonds (distance) C4'-P energy: -41.393
bonds (distance) P-C4' energy: -42.104
flat angles C4'-P-C4' energy: -52.783
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -57.502
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: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -596.268747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.268747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.268747 (E_RNA)
where:
Base-Base interactions energy: -389.957
where: short stacking energy: -167.578
Base-Backbone interact. energy: -1.517
local terms energy: -204.794913
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -505.521782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.521782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.521782 (E_RNA)
where:
Base-Base interactions energy: -333.335
where: short stacking energy: -156.092
Base-Backbone interact. energy: 1.730
local terms energy: -173.917010
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -33.569
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: 302
Temperature: 1.350000
Total energy: -214.969052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.969052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.969052 (E_RNA)
where:
Base-Base interactions energy: -60.504
where: short stacking energy: -50.203
Base-Backbone interact. energy: -1.159
local terms energy: -153.305529
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: 9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -953.871803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.871803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.871803 (E_RNA)
where:
Base-Base interactions energy: -666.940
where: short stacking energy: -298.659
Base-Backbone interact. energy: -1.056
local terms energy: -285.875634
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -56.785
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -93.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -910.794930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.794930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.794930 (E_RNA)
where:
Base-Base interactions energy: -630.756
where: short stacking energy: -268.654
Base-Backbone interact. energy: -1.014
local terms energy: -279.025155
where:
bonds (distance) C4'-P energy: -54.720
bonds (distance) P-C4' energy: -47.815
flat angles C4'-P-C4' energy: -55.061
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -79.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -900.220835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.220835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.220835 (E_RNA)
where:
Base-Base interactions energy: -624.808
where: short stacking energy: -270.716
Base-Backbone interact. energy: 2.316
local terms energy: -277.729132
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -84.824
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -860.354934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.354934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.354934 (E_RNA)
where:
Base-Base interactions energy: -592.803
where: short stacking energy: -263.632
Base-Backbone interact. energy: -1.254
local terms energy: -266.297731
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -54.789
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -74.482
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: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -777.182554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.182554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.182554 (E_RNA)
where:
Base-Base interactions energy: -520.604
where: short stacking energy: -240.791
Base-Backbone interact. energy: -0.652
local terms energy: -255.927008
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: -60.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -791.691418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.691418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.691418 (E_RNA)
where:
Base-Base interactions energy: -550.485
where: short stacking energy: -224.560
Base-Backbone interact. energy: 0.006
local terms energy: -241.211854
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -49.149
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -64.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -789.390031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.390031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.390031 (E_RNA)
where:
Base-Base interactions energy: -539.178
where: short stacking energy: -238.433
Base-Backbone interact. energy: 0.181
local terms energy: -250.392502
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -30.047
tors. eta vs tors. theta energy: -73.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -569.528073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.528073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.528073 (E_RNA)
where:
Base-Base interactions energy: -361.297
where: short stacking energy: -157.538
Base-Backbone interact. energy: -0.631
local terms energy: -207.600292
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -49.928
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -38.483
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: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -504.463866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.463866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.463866 (E_RNA)
where:
Base-Base interactions energy: -302.557
where: short stacking energy: -155.704
Base-Backbone interact. energy: -0.935
local terms energy: -200.971648
where:
bonds (distance) C4'-P energy: -44.589
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -35.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -254.568106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.568106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.568106 (E_RNA)
where:
Base-Base interactions energy: -115.068
where: short stacking energy: -76.261
Base-Backbone interact. energy: 0.332
local terms energy: -139.832068
where:
bonds (distance) C4'-P energy: -31.990
bonds (distance) P-C4' energy: -40.865
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -2.902
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: 304
Temperature: 0.900000
Total energy: -920.208150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.208150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.208150 (E_RNA)
where:
Base-Base interactions energy: -643.972
where: short stacking energy: -283.126
Base-Backbone interact. energy: -0.406
local terms energy: -275.829785
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -48.717
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -36.920
tors. eta vs tors. theta energy: -86.562
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: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -942.702342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.702342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.702342 (E_RNA)
where:
Base-Base interactions energy: -660.837
where: short stacking energy: -280.486
Base-Backbone interact. energy: -0.397
local terms energy: -281.467789
where:
bonds (distance) C4'-P energy: -45.617
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -85.155
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: 304
Temperature: 1.000000
Total energy: -878.125186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.125186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.125186 (E_RNA)
where:
Base-Base interactions energy: -609.183
where: short stacking energy: -262.159
Base-Backbone interact. energy: -0.593
local terms energy: -268.348419
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -41.463
tors. eta vs tors. theta energy: -82.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -883.024782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.024782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.024782 (E_RNA)
where:
Base-Base interactions energy: -611.366
where: short stacking energy: -264.676
Base-Backbone interact. energy: -1.046
local terms energy: -270.612533
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -44.002
flat angles C4'-P-C4' energy: -52.610
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -82.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -779.840510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.840510 (E_RNA)
where:
Base-Base interactions energy: -533.992
where: short stacking energy: -219.303
Base-Backbone interact. energy: -0.820
local terms energy: -245.028739
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -66.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -799.628206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.628206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.628206 (E_RNA)
where:
Base-Base interactions energy: -545.018
where: short stacking energy: -229.612
Base-Backbone interact. energy: 2.371
local terms energy: -256.982137
where:
bonds (distance) C4'-P energy: -53.322
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -49.009
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -67.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -782.221996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.221996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.221996 (E_RNA)
where:
Base-Base interactions energy: -536.620
where: short stacking energy: -237.320
Base-Backbone interact. energy: -0.067
local terms energy: -245.535227
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -53.250
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -69.538
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: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -594.174761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.174761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.174761 (E_RNA)
where:
Base-Base interactions energy: -400.089
where: short stacking energy: -174.946
Base-Backbone interact. energy: -0.660
local terms energy: -193.425639
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -503.657636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.657636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.657636 (E_RNA)
where:
Base-Base interactions energy: -306.169
where: short stacking energy: -152.103
Base-Backbone interact. energy: -0.837
local terms energy: -196.651570
where:
bonds (distance) C4'-P energy: -46.155
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -24.923
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: 304
Temperature: 1.350000
Total energy: -245.957916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.957916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.957916 (E_RNA)
where:
Base-Base interactions energy: -83.409
where: short stacking energy: -78.397
Base-Backbone interact. energy: -0.842
local terms energy: -161.706460
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -39.521
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -961.331173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.331173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.331173 (E_RNA)
where:
Base-Base interactions energy: -651.951
where: short stacking energy: -290.596
Base-Backbone interact. energy: -2.236
local terms energy: -307.144270
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -64.055
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -88.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -952.407923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.407923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.407923 (E_RNA)
where:
Base-Base interactions energy: -660.504
where: short stacking energy: -285.633
Base-Backbone interact. energy: -0.253
local terms energy: -291.651211
where:
bonds (distance) C4'-P energy: -53.350
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -62.278
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -86.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -879.792905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.792905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.792905 (E_RNA)
where:
Base-Base interactions energy: -610.404
where: short stacking energy: -274.034
Base-Backbone interact. energy: 0.269
local terms energy: -269.657745
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -49.745
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -77.176
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -876.073080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.073080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.073080 (E_RNA)
where:
Base-Base interactions energy: -618.900
where: short stacking energy: -257.764
Base-Backbone interact. energy: 0.563
local terms energy: -257.735811
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -35.663
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -776.679489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.679489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.679489 (E_RNA)
where:
Base-Base interactions energy: -535.954
where: short stacking energy: -230.836
Base-Backbone interact. energy: -1.104
local terms energy: -239.621036
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -56.130
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -33.526
tors. eta vs tors. theta energy: -57.173
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -776.827012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.827012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.827012 (E_RNA)
where:
Base-Base interactions energy: -539.048
where: short stacking energy: -230.786
Base-Backbone interact. energy: -1.049
local terms energy: -236.730015
where:
bonds (distance) C4'-P energy: -42.283
bonds (distance) P-C4' energy: -44.816
flat angles C4'-P-C4' energy: -47.567
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -777.580081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.580081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.580081 (E_RNA)
where:
Base-Base interactions energy: -541.331
where: short stacking energy: -227.822
Base-Backbone interact. energy: -0.959
local terms energy: -235.289555
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -44.795
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -30.522
tors. eta vs tors. theta energy: -61.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -557.227673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.227673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.227673 (E_RNA)
where:
Base-Base interactions energy: -352.518
where: short stacking energy: -161.355
Base-Backbone interact. energy: -0.717
local terms energy: -203.992358
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -45.628
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -31.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -469.374933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.374933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.374933 (E_RNA)
where:
Base-Base interactions energy: -293.011
where: short stacking energy: -156.585
Base-Backbone interact. energy: -1.002
local terms energy: -175.361629
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -39.209
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -31.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -233.031957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.031957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.031957 (E_RNA)
where:
Base-Base interactions energy: -73.753
where: short stacking energy: -73.494
Base-Backbone interact. energy: 0.025
local terms energy: -159.303612
where:
bonds (distance) C4'-P energy: -41.320
bonds (distance) P-C4' energy: -43.177
flat angles C4'-P-C4' energy: -42.067
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -1.595
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -938.359793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.359793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.359793 (E_RNA)
where:
Base-Base interactions energy: -641.670
where: short stacking energy: -267.997
Base-Backbone interact. energy: -2.486
local terms energy: -294.204022
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -53.614
flat angles C4'-P-C4' energy: -54.447
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -84.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -936.866183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.866183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.866183 (E_RNA)
where:
Base-Base interactions energy: -655.398
where: short stacking energy: -277.365
Base-Backbone interact. energy: 0.193
local terms energy: -281.661361
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -52.608
flat angles C4'-P-C4' energy: -57.848
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -78.718
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -865.816205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.816205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.816205 (E_RNA)
where:
Base-Base interactions energy: -589.019
where: short stacking energy: -260.421
Base-Backbone interact. energy: -1.946
local terms energy: -274.851123
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -56.112
flat angles C4'-P-C4' energy: -54.756
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -79.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -910.715962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.715962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.715962 (E_RNA)
where:
Base-Base interactions energy: -633.663
where: short stacking energy: -261.531
Base-Backbone interact. energy: -1.091
local terms energy: -275.961852
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -57.335
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -81.324
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: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -792.060336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.060336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.060336 (E_RNA)
where:
Base-Base interactions energy: -547.937
where: short stacking energy: -225.948
Base-Backbone interact. energy: -0.342
local terms energy: -243.781108
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -54.384
flat angles C4'-P-C4' energy: -51.582
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -61.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -748.057671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.057671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.057671 (E_RNA)
where:
Base-Base interactions energy: -500.533
where: short stacking energy: -226.896
Base-Backbone interact. energy: -0.411
local terms energy: -247.114099
where:
bonds (distance) C4'-P energy: -51.993
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -57.656
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: 306
Temperature: 1.200000
Total energy: -778.550320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.550320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.550320 (E_RNA)
where:
Base-Base interactions energy: -529.859
where: short stacking energy: -212.852
Base-Backbone interact. energy: 1.387
local terms energy: -250.078547
where:
bonds (distance) C4'-P energy: -50.479
bonds (distance) P-C4' energy: -60.646
flat angles C4'-P-C4' energy: -45.754
flat angles P-C4'-P energy: -29.601
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: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -514.274801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.274801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.274801 (E_RNA)
where:
Base-Base interactions energy: -324.775
where: short stacking energy: -146.282
Base-Backbone interact. energy: 1.976
local terms energy: -191.476054
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -47.972
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -488.746256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.746256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.746256 (E_RNA)
where:
Base-Base interactions energy: -317.483
where: short stacking energy: -149.835
Base-Backbone interact. energy: 3.456
local terms energy: -174.718710
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -31.357
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: 306
Temperature: 1.350000
Total energy: -243.093500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.093500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.093500 (E_RNA)
where:
Base-Base interactions energy: -83.096
where: short stacking energy: -73.443
Base-Backbone interact. energy: 4.544
local terms energy: -164.541225
where:
bonds (distance) C4'-P energy: -41.845
bonds (distance) P-C4' energy: -49.316
flat angles C4'-P-C4' energy: -46.159
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -937.027326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.027326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.027326 (E_RNA)
where:
Base-Base interactions energy: -657.354
where: short stacking energy: -278.197
Base-Backbone interact. energy: -0.716
local terms energy: -278.957546
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -57.490
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -79.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -955.954939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.954939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.954939 (E_RNA)
where:
Base-Base interactions energy: -664.916
where: short stacking energy: -284.430
Base-Backbone interact. energy: -1.255
local terms energy: -289.783407
where:
bonds (distance) C4'-P energy: -55.111
bonds (distance) P-C4' energy: -55.775
flat angles C4'-P-C4' energy: -58.499
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -82.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -895.209702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.209702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.209702 (E_RNA)
where:
Base-Base interactions energy: -604.264
where: short stacking energy: -273.917
Base-Backbone interact. energy: -0.348
local terms energy: -290.597840
where:
bonds (distance) C4'-P energy: -56.850
bonds (distance) P-C4' energy: -52.094
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -81.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -858.605849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.605849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.605849 (E_RNA)
where:
Base-Base interactions energy: -611.532
where: short stacking energy: -250.144
Base-Backbone interact. energy: 0.407
local terms energy: -247.480692
where:
bonds (distance) C4'-P energy: -42.275
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -74.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -796.379809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.379809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.379809 (E_RNA)
where:
Base-Base interactions energy: -545.223
where: short stacking energy: -234.381
Base-Backbone interact. energy: 0.411
local terms energy: -251.567687
where:
bonds (distance) C4'-P energy: -50.323
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: -64.891
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: 307
Temperature: 1.150000
Total energy: -790.384790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.384790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.384790 (E_RNA)
where:
Base-Base interactions energy: -567.174
where: short stacking energy: -236.784
Base-Backbone interact. energy: 1.552
local terms energy: -224.762507
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -61.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -757.018818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.018818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.018818 (E_RNA)
where:
Base-Base interactions energy: -516.042
where: short stacking energy: -233.117
Base-Backbone interact. energy: -0.263
local terms energy: -240.713986
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -48.061
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -62.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -461.120838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.120838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.120838 (E_RNA)
where:
Base-Base interactions energy: -275.961
where: short stacking energy: -130.315
Base-Backbone interact. energy: -1.108
local terms energy: -184.052430
where:
bonds (distance) C4'-P energy: -41.669
bonds (distance) P-C4' energy: -51.270
flat angles C4'-P-C4' energy: -46.905
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: -19.261
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -493.435944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.435944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.435944 (E_RNA)
where:
Base-Base interactions energy: -309.665
where: short stacking energy: -143.515
Base-Backbone interact. energy: -1.402
local terms energy: -182.369573
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -40.897
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -32.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -232.471128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.471128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.471128 (E_RNA)
where:
Base-Base interactions energy: -88.462
where: short stacking energy: -76.690
Base-Backbone interact. energy: 0.645
local terms energy: -144.654147
where:
bonds (distance) C4'-P energy: -41.713
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: 8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -976.336558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.336558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.336558 (E_RNA)
where:
Base-Base interactions energy: -679.512
where: short stacking energy: -294.690
Base-Backbone interact. energy: -0.692
local terms energy: -296.132961
where:
bonds (distance) C4'-P energy: -55.109
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -86.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -909.932692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.932692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.932692 (E_RNA)
where:
Base-Base interactions energy: -625.029
where: short stacking energy: -271.690
Base-Backbone interact. energy: -0.458
local terms energy: -284.445819
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -56.153
flat angles P-C4'-P energy: -50.246
tors. eta vs tors. theta energy: -81.362
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -875.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.783591 (E_RNA)
where:
Base-Base interactions energy: -613.805
where: short stacking energy: -277.487
Base-Backbone interact. energy: 0.876
local terms energy: -262.854604
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -77.025
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: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -874.464437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.464437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.464437 (E_RNA)
where:
Base-Base interactions energy: -584.246
where: short stacking energy: -247.054
Base-Backbone interact. energy: -0.716
local terms energy: -289.503078
where:
bonds (distance) C4'-P energy: -56.467
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -60.768
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -77.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -780.295179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.295179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.295179 (E_RNA)
where:
Base-Base interactions energy: -543.603
where: short stacking energy: -236.727
Base-Backbone interact. energy: -0.713
local terms energy: -235.979814
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -42.470
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -62.623
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: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -787.745891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.745891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.745891 (E_RNA)
where:
Base-Base interactions energy: -535.648
where: short stacking energy: -215.639
Base-Backbone interact. energy: 0.426
local terms energy: -252.524595
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -48.225
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -32.807
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: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -742.744119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.744119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.744119 (E_RNA)
where:
Base-Base interactions energy: -506.708
where: short stacking energy: -207.640
Base-Backbone interact. energy: -0.275
local terms energy: -235.761445
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -57.005
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -505.724199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.724199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.724199 (E_RNA)
where:
Base-Base interactions energy: -306.593
where: short stacking energy: -147.421
Base-Backbone interact. energy: 1.269
local terms energy: -200.399875
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -44.426
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -29.706
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: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -503.866537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.866537 (E_RNA)
where:
Base-Base interactions energy: -311.355
where: short stacking energy: -146.811
Base-Backbone interact. energy: -1.047
local terms energy: -191.465086
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -43.347
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -34.582
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: 308
Temperature: 1.350000
Total energy: -237.396119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396119 (E_RNA)
where:
Base-Base interactions energy: -79.894
where: short stacking energy: -71.102
Base-Backbone interact. energy: 6.157
local terms energy: -163.659161
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -29.728
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -985.209369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.209369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.209369 (E_RNA)
where:
Base-Base interactions energy: -676.831
where: short stacking energy: -288.415
Base-Backbone interact. energy: -1.141
local terms energy: -307.237665
where:
bonds (distance) C4'-P energy: -57.023
bonds (distance) P-C4' energy: -50.029
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -89.288
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: 309
Temperature: 0.950000
Total energy: -937.014471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.014471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.014471 (E_RNA)
where:
Base-Base interactions energy: -647.285
where: short stacking energy: -277.465
Base-Backbone interact. energy: 0.045
local terms energy: -289.774833
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -55.208
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -80.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -886.264312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.264312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.264312 (E_RNA)
where:
Base-Base interactions energy: -610.253
where: short stacking energy: -256.267
Base-Backbone interact. energy: -0.182
local terms energy: -275.829702
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -73.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -860.418507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.418507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.418507 (E_RNA)
where:
Base-Base interactions energy: -598.061
where: short stacking energy: -244.492
Base-Backbone interact. energy: -1.071
local terms energy: -261.286229
where:
bonds (distance) C4'-P energy: -47.644
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -66.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -785.767680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.767680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.767680 (E_RNA)
where:
Base-Base interactions energy: -535.865
where: short stacking energy: -227.043
Base-Backbone interact. energy: -1.267
local terms energy: -248.636299
where:
bonds (distance) C4'-P energy: -46.399
bonds (distance) P-C4' energy: -55.185
flat angles C4'-P-C4' energy: -50.837
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -58.374
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: 309
Temperature: 1.150000
Total energy: -790.950872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.950872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.950872 (E_RNA)
where:
Base-Base interactions energy: -556.448
where: short stacking energy: -221.881
Base-Backbone interact. energy: -1.473
local terms energy: -233.029299
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -44.478
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -62.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -748.744333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.744333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.744333 (E_RNA)
where:
Base-Base interactions energy: -508.408
where: short stacking energy: -191.919
Base-Backbone interact. energy: 0.129
local terms energy: -240.465562
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -50.515
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -59.372
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -492.008832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.008832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.008832 (E_RNA)
where:
Base-Base interactions energy: -296.676
where: short stacking energy: -142.578
Base-Backbone interact. energy: -0.779
local terms energy: -194.553861
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -40.598
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -458.412076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.412076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.412076 (E_RNA)
where:
Base-Base interactions energy: -281.686
where: short stacking energy: -145.593
Base-Backbone interact. energy: -0.553
local terms energy: -176.172692
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -41.893
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -22.335
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: 309
Temperature: 1.350000
Total energy: -221.226716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226716 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.559
local terms energy: -152.386241
where:
bonds (distance) C4'-P energy: -51.417
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -45.822
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: 5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -967.956140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.956140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.956140 (E_RNA)
where:
Base-Base interactions energy: -678.098
where: short stacking energy: -285.122
Base-Backbone interact. energy: 1.496
local terms energy: -291.354363
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: -85.945
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: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -957.220846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.220846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.220846 (E_RNA)
where:
Base-Base interactions energy: -672.252
where: short stacking energy: -291.612
Base-Backbone interact. energy: -1.108
local terms energy: -283.860786
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -90.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -910.613165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.613165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.613165 (E_RNA)
where:
Base-Base interactions energy: -624.043
where: short stacking energy: -280.385
Base-Backbone interact. energy: -0.215
local terms energy: -286.355145
where:
bonds (distance) C4'-P energy: -51.682
bonds (distance) P-C4' energy: -52.788
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -79.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -895.494082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.494082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.494082 (E_RNA)
where:
Base-Base interactions energy: -629.923
where: short stacking energy: -269.919
Base-Backbone interact. energy: -1.367
local terms energy: -264.203846
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -53.217
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -80.208
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: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -803.345782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.345782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.345782 (E_RNA)
where:
Base-Base interactions energy: -554.717
where: short stacking energy: -239.494
Base-Backbone interact. energy: -0.445
local terms energy: -248.183252
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -64.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -763.352511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.352511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.352511 (E_RNA)
where:
Base-Base interactions energy: -525.836
where: short stacking energy: -233.494
Base-Backbone interact. energy: 0.618
local terms energy: -238.134508
where:
bonds (distance) C4'-P energy: -37.660
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -62.479
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -60.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -748.446121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.446121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.446121 (E_RNA)
where:
Base-Base interactions energy: -510.764
where: short stacking energy: -207.427
Base-Backbone interact. energy: 0.817
local terms energy: -238.499347
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -50.996
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -56.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -499.024274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.024274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.024274 (E_RNA)
where:
Base-Base interactions energy: -309.673
where: short stacking energy: -148.589
Base-Backbone interact. energy: 3.794
local terms energy: -193.144868
where:
bonds (distance) C4'-P energy: -49.202
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -40.667
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -28.806
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: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -437.713335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.713335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.713335 (E_RNA)
where:
Base-Base interactions energy: -268.763
where: short stacking energy: -149.345
Base-Backbone interact. energy: -0.673
local terms energy: -168.278165
where:
bonds (distance) C4'-P energy: -37.238
bonds (distance) P-C4' energy: -47.811
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -234.746283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.746283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746283 (E_RNA)
where:
Base-Base interactions energy: -99.396
where: short stacking energy: -82.874
Base-Backbone interact. energy: -0.854
local terms energy: -134.495739
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -971.349086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.349086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.349086 (E_RNA)
where:
Base-Base interactions energy: -680.039
where: short stacking energy: -292.964
Base-Backbone interact. energy: -0.590
local terms energy: -290.719462
where:
bonds (distance) C4'-P energy: -54.583
bonds (distance) P-C4' energy: -52.860
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -40.145
tors. eta vs tors. theta energy: -87.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -972.236631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.236631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.236631 (E_RNA)
where:
Base-Base interactions energy: -690.926
where: short stacking energy: -288.558
Base-Backbone interact. energy: -0.863
local terms energy: -280.448052
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -83.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -884.214059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.214059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.214059 (E_RNA)
where:
Base-Base interactions energy: -604.281
where: short stacking energy: -275.668
Base-Backbone interact. energy: 0.367
local terms energy: -280.300220
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -79.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -888.107049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.107049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.107049 (E_RNA)
where:
Base-Base interactions energy: -614.851
where: short stacking energy: -258.330
Base-Backbone interact. energy: -0.888
local terms energy: -272.368621
where:
bonds (distance) C4'-P energy: -45.504
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -42.946
tors. eta vs tors. theta energy: -78.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -827.632039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.632039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.632039 (E_RNA)
where:
Base-Base interactions energy: -571.365
where: short stacking energy: -250.978
Base-Backbone interact. energy: 0.091
local terms energy: -256.358124
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -41.250
flat angles P-C4'-P energy: -36.986
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: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -763.665317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.665317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.665317 (E_RNA)
where:
Base-Base interactions energy: -521.849
where: short stacking energy: -226.812
Base-Backbone interact. energy: -0.320
local terms energy: -241.495844
where:
bonds (distance) C4'-P energy: -52.515
bonds (distance) P-C4' energy: -48.790
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -54.501
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: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -767.243074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.243074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.243074 (E_RNA)
where:
Base-Base interactions energy: -519.207
where: short stacking energy: -209.246
Base-Backbone interact. energy: -0.427
local terms energy: -247.608237
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -55.455
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: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -507.024026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.024026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.024026 (E_RNA)
where:
Base-Base interactions energy: -328.411
where: short stacking energy: -156.487
Base-Backbone interact. energy: -0.381
local terms energy: -178.232425
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -48.397
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -471.713930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.713930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.713930 (E_RNA)
where:
Base-Base interactions energy: -288.734
where: short stacking energy: -134.313
Base-Backbone interact. energy: -1.484
local terms energy: -181.495813
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -228.721978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.721978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.721978 (E_RNA)
where:
Base-Base interactions energy: -101.886
where: short stacking energy: -55.242
Base-Backbone interact. energy: 0.082
local terms energy: -126.917438
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -45.534
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: 16.450
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: 312
Temperature: 0.900000
Total energy: -983.243353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.243353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.243353 (E_RNA)
where:
Base-Base interactions energy: -693.256
where: short stacking energy: -286.597
Base-Backbone interact. energy: -1.026
local terms energy: -288.960858
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -60.766
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -86.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -949.974099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.974099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.974099 (E_RNA)
where:
Base-Base interactions energy: -663.502
where: short stacking energy: -288.736
Base-Backbone interact. energy: -1.211
local terms energy: -285.261034
where:
bonds (distance) C4'-P energy: -46.231
bonds (distance) P-C4' energy: -53.988
flat angles C4'-P-C4' energy: -57.800
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -86.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -877.006492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.006492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.006492 (E_RNA)
where:
Base-Base interactions energy: -603.192
where: short stacking energy: -255.002
Base-Backbone interact. energy: 0.420
local terms energy: -274.234896
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -56.196
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -42.422
tors. eta vs tors. theta energy: -69.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -857.850086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.850086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.850086 (E_RNA)
where:
Base-Base interactions energy: -594.738
where: short stacking energy: -236.094
Base-Backbone interact. energy: -1.206
local terms energy: -261.905965
where:
bonds (distance) C4'-P energy: -47.962
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -70.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -829.990249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.990249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.990249 (E_RNA)
where:
Base-Base interactions energy: -561.256
where: short stacking energy: -243.759
Base-Backbone interact. energy: -0.507
local terms energy: -268.226680
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -50.665
flat angles C4'-P-C4' energy: -52.382
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -68.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -768.734452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.734452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.734452 (E_RNA)
where:
Base-Base interactions energy: -540.843
where: short stacking energy: -238.079
Base-Backbone interact. energy: -0.109
local terms energy: -227.782744
where:
bonds (distance) C4'-P energy: -35.066
bonds (distance) P-C4' energy: -44.621
flat angles C4'-P-C4' energy: -50.046
flat angles P-C4'-P energy: -33.985
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: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -754.607264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.607264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.607264 (E_RNA)
where:
Base-Base interactions energy: -516.760
where: short stacking energy: -218.692
Base-Backbone interact. energy: 1.271
local terms energy: -239.118455
where:
bonds (distance) C4'-P energy: -38.187
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -55.980
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -61.842
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -553.557286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.557286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.557286 (E_RNA)
where:
Base-Base interactions energy: -357.845
where: short stacking energy: -174.365
Base-Backbone interact. energy: 10.783
local terms energy: -206.495116
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -43.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -487.936403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.936403 (E_RNA)
where:
Base-Base interactions energy: -306.387
where: short stacking energy: -127.123
Base-Backbone interact. energy: -0.613
local terms energy: -180.936849
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -236.273760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.273760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.273760 (E_RNA)
where:
Base-Base interactions energy: -98.549
where: short stacking energy: -85.336
Base-Backbone interact. energy: 4.613
local terms energy: -142.337340
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -985.117500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.117500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.117500 (E_RNA)
where:
Base-Base interactions energy: -674.593
where: short stacking energy: -284.099
Base-Backbone interact. energy: 2.387
local terms energy: -312.911994
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -59.449
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -42.007
tors. eta vs tors. theta energy: -86.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -945.166560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.166560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.166560 (E_RNA)
where:
Base-Base interactions energy: -664.989
where: short stacking energy: -292.106
Base-Backbone interact. energy: -0.562
local terms energy: -279.615722
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -85.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -878.550421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.550421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.550421 (E_RNA)
where:
Base-Base interactions energy: -619.099
where: short stacking energy: -264.858
Base-Backbone interact. energy: 1.194
local terms energy: -260.645518
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -45.097
tors. eta vs tors. theta energy: -74.958
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: 313
Temperature: 1.050000
Total energy: -903.768510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.768510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.768510 (E_RNA)
where:
Base-Base interactions energy: -626.483
where: short stacking energy: -262.174
Base-Backbone interact. energy: -1.988
local terms energy: -275.297156
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -48.338
flat angles C4'-P-C4' energy: -64.552
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -77.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -799.085394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.085394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.085394 (E_RNA)
where:
Base-Base interactions energy: -558.352
where: short stacking energy: -234.973
Base-Backbone interact. energy: -0.212
local terms energy: -240.521622
where:
bonds (distance) C4'-P energy: -45.189
bonds (distance) P-C4' energy: -42.659
flat angles C4'-P-C4' energy: -49.327
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -71.904
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -776.101810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.101810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.101810 (E_RNA)
where:
Base-Base interactions energy: -533.245
where: short stacking energy: -231.040
Base-Backbone interact. energy: -0.095
local terms energy: -242.762591
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -51.802
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -65.509
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: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -752.656364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.656364 (E_RNA)
where:
Base-Base interactions energy: -505.605
where: short stacking energy: -209.241
Base-Backbone interact. energy: -0.540
local terms energy: -246.511485
where:
bonds (distance) C4'-P energy: -50.318
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -55.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -503.906738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.906738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.906738 (E_RNA)
where:
Base-Base interactions energy: -312.127
where: short stacking energy: -156.364
Base-Backbone interact. energy: -1.081
local terms energy: -190.698908
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -35.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -479.155366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.155366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.155366 (E_RNA)
where:
Base-Base interactions energy: -291.287
where: short stacking energy: -139.291
Base-Backbone interact. energy: 0.507
local terms energy: -188.375928
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -44.531
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -31.002
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: 313
Temperature: 1.350000
Total energy: -222.475891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.475891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.475891 (E_RNA)
where:
Base-Base interactions energy: -76.687
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.692
local terms energy: -145.097062
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: 11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -977.199293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.199293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.199293 (E_RNA)
where:
Base-Base interactions energy: -679.588
where: short stacking energy: -305.850
Base-Backbone interact. energy: -0.715
local terms energy: -296.896401
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -61.820
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -92.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -948.965414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.965414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.965414 (E_RNA)
where:
Base-Base interactions energy: -662.720
where: short stacking energy: -287.645
Base-Backbone interact. energy: -0.296
local terms energy: -285.949446
where:
bonds (distance) C4'-P energy: -49.364
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -87.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -885.854097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.854097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.854097 (E_RNA)
where:
Base-Base interactions energy: -618.222
where: short stacking energy: -261.852
Base-Backbone interact. energy: -1.591
local terms energy: -266.040685
where:
bonds (distance) C4'-P energy: -47.130
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -71.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -875.530828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.530828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.530828 (E_RNA)
where:
Base-Base interactions energy: -597.688
where: short stacking energy: -257.420
Base-Backbone interact. energy: -1.139
local terms energy: -276.703461
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -53.632
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -71.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -813.221849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.221849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.221849 (E_RNA)
where:
Base-Base interactions energy: -559.892
where: short stacking energy: -237.183
Base-Backbone interact. energy: -0.071
local terms energy: -253.258920
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -48.073
flat angles C4'-P-C4' energy: -47.425
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -68.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -774.154457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.154457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.154457 (E_RNA)
where:
Base-Base interactions energy: -533.087
where: short stacking energy: -221.982
Base-Backbone interact. energy: 0.099
local terms energy: -241.166338
where:
bonds (distance) C4'-P energy: -44.666
bonds (distance) P-C4' energy: -44.930
flat angles C4'-P-C4' energy: -54.469
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -57.674
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -745.310176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.310176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.310176 (E_RNA)
where:
Base-Base interactions energy: -522.396
where: short stacking energy: -232.185
Base-Backbone interact. energy: -0.841
local terms energy: -222.072756
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -50.171
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -63.213
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: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -504.929556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.929556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.929556 (E_RNA)
where:
Base-Base interactions energy: -317.840
where: short stacking energy: -166.206
Base-Backbone interact. energy: -1.891
local terms energy: -185.198496
where:
bonds (distance) C4'-P energy: -45.333
bonds (distance) P-C4' energy: -38.174
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -29.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -512.918039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.918039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.918039 (E_RNA)
where:
Base-Base interactions energy: -313.860
where: short stacking energy: -155.782
Base-Backbone interact. energy: -2.024
local terms energy: -197.033666
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -38.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -257.012316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.012316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.012316 (E_RNA)
where:
Base-Base interactions energy: -106.251
where: short stacking energy: -71.878
Base-Backbone interact. energy: 5.313
local terms energy: -156.074138
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: 2.701
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: 315
Temperature: 0.900000
Total energy: -981.608266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.608266 (E_RNA)
where:
Base-Base interactions energy: -678.509
where: short stacking energy: -303.729
Base-Backbone interact. energy: -0.964
local terms energy: -302.134694
where:
bonds (distance) C4'-P energy: -59.296
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -88.567
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: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -953.359630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.359630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.359630 (E_RNA)
where:
Base-Base interactions energy: -670.125
where: short stacking energy: -282.691
Base-Backbone interact. energy: -0.148
local terms energy: -283.086655
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -61.017
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -85.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -890.964797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.964797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.964797 (E_RNA)
where:
Base-Base interactions energy: -629.572
where: short stacking energy: -246.884
Base-Backbone interact. energy: -1.641
local terms energy: -259.752204
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -53.967
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -70.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -865.785450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.785450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.785450 (E_RNA)
where:
Base-Base interactions energy: -599.664
where: short stacking energy: -262.263
Base-Backbone interact. energy: -1.140
local terms energy: -264.981655
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -34.133
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: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -801.312905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.312905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.312905 (E_RNA)
where:
Base-Base interactions energy: -547.468
where: short stacking energy: -236.857
Base-Backbone interact. energy: -0.094
local terms energy: -253.751234
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -54.489
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -62.026
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -774.747785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.747785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.747785 (E_RNA)
where:
Base-Base interactions energy: -547.832
where: short stacking energy: -229.897
Base-Backbone interact. energy: -0.554
local terms energy: -226.361125
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -46.031
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -54.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -752.829703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.829703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.829703 (E_RNA)
where:
Base-Base interactions energy: -521.875
where: short stacking energy: -219.452
Base-Backbone interact. energy: -0.659
local terms energy: -230.295185
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -56.385
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -66.669
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -519.720239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.720239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.720239 (E_RNA)
where:
Base-Base interactions energy: -323.391
where: short stacking energy: -159.997
Base-Backbone interact. energy: -0.163
local terms energy: -196.166352
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -36.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -474.985528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.985528 (E_RNA)
where:
Base-Base interactions energy: -278.825
where: short stacking energy: -125.671
Base-Backbone interact. energy: 0.661
local terms energy: -196.821304
where:
bonds (distance) C4'-P energy: -43.042
bonds (distance) P-C4' energy: -50.249
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -44.993
tors. eta vs tors. theta energy: -16.944
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: 315
Temperature: 1.350000
Total energy: -294.335887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.335887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.335887 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -71.199
Base-Backbone interact. energy: -0.951
local terms energy: -177.840219
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -974.469980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.469980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.469980 (E_RNA)
where:
Base-Base interactions energy: -683.602
where: short stacking energy: -304.038
Base-Backbone interact. energy: -1.086
local terms energy: -289.782546
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -81.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -953.917166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.917166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.917166 (E_RNA)
where:
Base-Base interactions energy: -667.316
where: short stacking energy: -285.843
Base-Backbone interact. energy: -0.633
local terms energy: -285.968784
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -56.901
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -87.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -870.582562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.582562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.582562 (E_RNA)
where:
Base-Base interactions energy: -602.223
where: short stacking energy: -260.448
Base-Backbone interact. energy: -0.817
local terms energy: -267.542193
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -55.008
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -74.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -881.874897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.874897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.874897 (E_RNA)
where:
Base-Base interactions energy: -608.023
where: short stacking energy: -257.500
Base-Backbone interact. energy: 1.804
local terms energy: -275.656177
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -73.189
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: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -805.732060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.732060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.732060 (E_RNA)
where:
Base-Base interactions energy: -552.218
where: short stacking energy: -240.523
Base-Backbone interact. energy: -0.935
local terms energy: -252.578897
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -64.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -792.535932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.535932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.535932 (E_RNA)
where:
Base-Base interactions energy: -543.455
where: short stacking energy: -230.640
Base-Backbone interact. energy: 0.245
local terms energy: -249.325432
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -35.826
flat angles C4'-P-C4' energy: -57.528
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -65.792
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: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -745.494948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.494948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.494948 (E_RNA)
where:
Base-Base interactions energy: -513.791
where: short stacking energy: -212.995
Base-Backbone interact. energy: -0.460
local terms energy: -231.243685
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -56.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -538.578746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.578746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.578746 (E_RNA)
where:
Base-Base interactions energy: -321.324
where: short stacking energy: -160.716
Base-Backbone interact. energy: -1.818
local terms energy: -215.436132
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -511.918404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.918404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.918404 (E_RNA)
where:
Base-Base interactions energy: -333.399
where: short stacking energy: -171.323
Base-Backbone interact. energy: 0.599
local terms energy: -179.118064
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -43.158
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -32.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -294.162949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.162949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.162949 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -89.131
Base-Backbone interact. energy: 3.130
local terms energy: -165.553405
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: 1.785
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: 317
Temperature: 0.900000
Total energy: -954.280317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.280317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.280317 (E_RNA)
where:
Base-Base interactions energy: -671.606
where: short stacking energy: -291.399
Base-Backbone interact. energy: -1.024
local terms energy: -281.649706
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -60.407
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -948.890731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.890731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.890731 (E_RNA)
where:
Base-Base interactions energy: -663.580
where: short stacking energy: -274.394
Base-Backbone interact. energy: -0.838
local terms energy: -284.472540
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -54.531
flat angles C4'-P-C4' energy: -58.014
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -79.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -882.959725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.959725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.959725 (E_RNA)
where:
Base-Base interactions energy: -597.051
where: short stacking energy: -264.400
Base-Backbone interact. energy: -1.736
local terms energy: -284.172711
where:
bonds (distance) C4'-P energy: -53.561
bonds (distance) P-C4' energy: -57.820
flat angles C4'-P-C4' energy: -53.633
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -80.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -854.745939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.745939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.745939 (E_RNA)
where:
Base-Base interactions energy: -601.648
where: short stacking energy: -251.863
Base-Backbone interact. energy: -0.966
local terms energy: -252.132002
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -46.292
flat angles C4'-P-C4' energy: -50.623
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -74.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -806.618738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.618738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.618738 (E_RNA)
where:
Base-Base interactions energy: -562.259
where: short stacking energy: -249.583
Base-Backbone interact. energy: 0.922
local terms energy: -245.281695
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -50.801
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -64.895
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -802.936190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.936190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.936190 (E_RNA)
where:
Base-Base interactions energy: -553.991
where: short stacking energy: -249.441
Base-Backbone interact. energy: -0.365
local terms energy: -248.579990
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -77.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -752.851492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.851492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.851492 (E_RNA)
where:
Base-Base interactions energy: -522.061
where: short stacking energy: -216.313
Base-Backbone interact. energy: -0.295
local terms energy: -230.495423
where:
bonds (distance) C4'-P energy: -48.936
bonds (distance) P-C4' energy: -40.272
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -56.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -508.402364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.402364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.402364 (E_RNA)
where:
Base-Base interactions energy: -334.666
where: short stacking energy: -151.658
Base-Backbone interact. energy: -2.003
local terms energy: -171.732519
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -31.635
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: 317
Temperature: 1.300000
Total energy: -482.710558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.710558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.710558 (E_RNA)
where:
Base-Base interactions energy: -279.797
where: short stacking energy: -126.015
Base-Backbone interact. energy: -1.165
local terms energy: -201.748034
where:
bonds (distance) C4'-P energy: -54.286
bonds (distance) P-C4' energy: -34.790
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -29.683
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: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -258.403959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.403959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403959 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -70.965
Base-Backbone interact. energy: 1.648
local terms energy: -143.012694
where:
bonds (distance) C4'-P energy: -39.623
bonds (distance) P-C4' energy: -44.920
flat angles C4'-P-C4' energy: -42.018
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: 4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -967.208877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.208877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.208877 (E_RNA)
where:
Base-Base interactions energy: -671.422
where: short stacking energy: -298.884
Base-Backbone interact. energy: -0.940
local terms energy: -294.846040
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -54.437
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -92.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -955.438178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.438178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.438178 (E_RNA)
where:
Base-Base interactions energy: -667.077
where: short stacking energy: -282.051
Base-Backbone interact. energy: -0.405
local terms energy: -287.956742
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -57.634
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -87.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -872.498061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.498061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.498061 (E_RNA)
where:
Base-Base interactions energy: -594.313
where: short stacking energy: -260.698
Base-Backbone interact. energy: -1.598
local terms energy: -276.586873
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -78.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -867.816556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.816556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.816556 (E_RNA)
where:
Base-Base interactions energy: -602.452
where: short stacking energy: -248.307
Base-Backbone interact. energy: -2.865
local terms energy: -262.499813
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -58.763
flat angles C4'-P-C4' energy: -56.081
flat angles P-C4'-P energy: -37.306
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: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -804.936323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.936323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.936323 (E_RNA)
where:
Base-Base interactions energy: -548.018
where: short stacking energy: -231.087
Base-Backbone interact. energy: -0.616
local terms energy: -256.302107
where:
bonds (distance) C4'-P energy: -47.268
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -60.163
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -71.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -768.695762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.695762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.695762 (E_RNA)
where:
Base-Base interactions energy: -516.662
where: short stacking energy: -226.961
Base-Backbone interact. energy: -1.327
local terms energy: -250.706852
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -52.632
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -64.674
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: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -767.037746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.037746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.037746 (E_RNA)
where:
Base-Base interactions energy: -523.607
where: short stacking energy: -231.914
Base-Backbone interact. energy: -1.652
local terms energy: -241.778195
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -42.666
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -70.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -517.187651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.187651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.187651 (E_RNA)
where:
Base-Base interactions energy: -326.262
where: short stacking energy: -148.208
Base-Backbone interact. energy: 0.242
local terms energy: -191.168374
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -47.776
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -28.841
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -481.799954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.799954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.799954 (E_RNA)
where:
Base-Base interactions energy: -293.350
where: short stacking energy: -136.632
Base-Backbone interact. energy: -1.247
local terms energy: -187.202634
where:
bonds (distance) C4'-P energy: -44.444
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -282.784486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.784486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.784486 (E_RNA)
where:
Base-Base interactions energy: -127.690
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.174
local terms energy: -154.920904
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -52.812
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -959.369157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.369157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.369157 (E_RNA)
where:
Base-Base interactions energy: -673.853
where: short stacking energy: -283.910
Base-Backbone interact. energy: -1.378
local terms energy: -284.138334
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -58.417
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -974.200716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.200716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.200716 (E_RNA)
where:
Base-Base interactions energy: -677.589
where: short stacking energy: -296.471
Base-Backbone interact. energy: -1.578
local terms energy: -295.033786
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -62.785
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -93.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -875.702600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.702600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.702600 (E_RNA)
where:
Base-Base interactions energy: -598.198
where: short stacking energy: -271.021
Base-Backbone interact. energy: 0.093
local terms energy: -277.597664
where:
bonds (distance) C4'-P energy: -49.968
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: -82.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -876.141138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.141138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.141138 (E_RNA)
where:
Base-Base interactions energy: -602.784
where: short stacking energy: -258.358
Base-Backbone interact. energy: -0.865
local terms energy: -272.492048
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -80.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -822.890437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.890437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.890437 (E_RNA)
where:
Base-Base interactions energy: -555.348
where: short stacking energy: -244.818
Base-Backbone interact. energy: -0.363
local terms energy: -267.179406
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -55.012
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -74.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -765.941635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.941635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.941635 (E_RNA)
where:
Base-Base interactions energy: -523.436
where: short stacking energy: -218.641
Base-Backbone interact. energy: 1.951
local terms energy: -244.456691
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -57.879
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: -56.747
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: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -779.341107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.341107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.341107 (E_RNA)
where:
Base-Base interactions energy: -522.293
where: short stacking energy: -213.467
Base-Backbone interact. energy: -0.745
local terms energy: -256.303999
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -53.881
flat angles P-C4'-P energy: -38.417
tors. eta vs tors. theta energy: -67.195
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -463.126044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.126044 (E_RNA)
where:
Base-Base interactions energy: -277.571
where: short stacking energy: -145.620
Base-Backbone interact. energy: 0.981
local terms energy: -186.535489
where:
bonds (distance) C4'-P energy: -44.584
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -541.191115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.191115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.191115 (E_RNA)
where:
Base-Base interactions energy: -339.764
where: short stacking energy: -153.694
Base-Backbone interact. energy: -0.627
local terms energy: -200.800290
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -29.120
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -279.943896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.943896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.943896 (E_RNA)
where:
Base-Base interactions energy: -135.770
where: short stacking energy: -81.262
Base-Backbone interact. energy: -2.051
local terms energy: -142.123530
where:
bonds (distance) C4'-P energy: -39.660
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -42.874
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: 1.348
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: 320
Temperature: 0.900000
Total energy: -970.907937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.907937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.907937 (E_RNA)
where:
Base-Base interactions energy: -666.091
where: short stacking energy: -288.489
Base-Backbone interact. energy: -1.073
local terms energy: -303.743238
where:
bonds (distance) C4'-P energy: -59.085
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -62.511
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -87.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -935.913266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.913266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.913266 (E_RNA)
where:
Base-Base interactions energy: -642.769
where: short stacking energy: -275.473
Base-Backbone interact. energy: -0.956
local terms energy: -292.188154
where:
bonds (distance) C4'-P energy: -50.673
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -76.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -898.625533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.625533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.625533 (E_RNA)
where:
Base-Base interactions energy: -634.046
where: short stacking energy: -257.223
Base-Backbone interact. energy: -1.480
local terms energy: -263.099409
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -76.651
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: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -867.111116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.111116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.111116 (E_RNA)
where:
Base-Base interactions energy: -602.891
where: short stacking energy: -272.845
Base-Backbone interact. energy: -0.149
local terms energy: -264.070889
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -83.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -810.273649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.273649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.273649 (E_RNA)
where:
Base-Base interactions energy: -562.140
where: short stacking energy: -220.785
Base-Backbone interact. energy: 0.870
local terms energy: -249.003508
where:
bonds (distance) C4'-P energy: -43.818
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -56.233
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -68.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -761.629807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.629807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.629807 (E_RNA)
where:
Base-Base interactions energy: -534.485
where: short stacking energy: -220.493
Base-Backbone interact. energy: -0.926
local terms energy: -226.218632
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -55.040
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -52.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -781.189668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.189668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.189668 (E_RNA)
where:
Base-Base interactions energy: -539.496
where: short stacking energy: -236.218
Base-Backbone interact. energy: 0.298
local terms energy: -241.992148
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -52.378
flat angles C4'-P-C4' energy: -50.989
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -66.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -493.116561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.116561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.116561 (E_RNA)
where:
Base-Base interactions energy: -312.798
where: short stacking energy: -150.850
Base-Backbone interact. energy: -0.897
local terms energy: -179.422226
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -485.326953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.326953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.326953 (E_RNA)
where:
Base-Base interactions energy: -310.938
where: short stacking energy: -135.661
Base-Backbone interact. energy: -0.032
local terms energy: -174.356084
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -43.688
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -33.496
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: 320
Temperature: 1.350000
Total energy: -255.806892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.806892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.806892 (E_RNA)
where:
Base-Base interactions energy: -103.334
where: short stacking energy: -86.130
Base-Backbone interact. energy: -0.351
local terms energy: -152.121652
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -978.376479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.376479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.376479 (E_RNA)
where:
Base-Base interactions energy: -680.609
where: short stacking energy: -301.094
Base-Backbone interact. energy: 0.952
local terms energy: -298.719474
where:
bonds (distance) C4'-P energy: -53.447
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -60.347
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -88.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -931.509390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.509390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.509390 (E_RNA)
where:
Base-Base interactions energy: -650.524
where: short stacking energy: -279.330
Base-Backbone interact. energy: -1.040
local terms energy: -279.945579
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -63.487
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -79.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -900.347622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.347622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.347622 (E_RNA)
where:
Base-Base interactions energy: -623.422
where: short stacking energy: -269.066
Base-Backbone interact. energy: -0.899
local terms energy: -276.026511
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -47.236
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: -77.761
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: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -852.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.322866 (E_RNA)
where:
Base-Base interactions energy: -589.266
where: short stacking energy: -241.823
Base-Backbone interact. energy: -0.461
local terms energy: -262.595537
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -825.345840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.345840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.345840 (E_RNA)
where:
Base-Base interactions energy: -576.950
where: short stacking energy: -258.452
Base-Backbone interact. energy: -0.167
local terms energy: -248.228987
where:
bonds (distance) C4'-P energy: -44.470
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -76.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -800.619712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.619712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.619712 (E_RNA)
where:
Base-Base interactions energy: -551.298
where: short stacking energy: -230.986
Base-Backbone interact. energy: -0.653
local terms energy: -248.669226
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -45.269
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -36.266
tors. eta vs tors. theta energy: -70.318
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: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -751.898668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.898668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.898668 (E_RNA)
where:
Base-Base interactions energy: -502.816
where: short stacking energy: -214.772
Base-Backbone interact. energy: -0.241
local terms energy: -248.841040
where:
bonds (distance) C4'-P energy: -45.202
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -51.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -485.130860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.130860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.130860 (E_RNA)
where:
Base-Base interactions energy: -304.814
where: short stacking energy: -136.930
Base-Backbone interact. energy: -0.849
local terms energy: -179.468405
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -30.403
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: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -442.494601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.494601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.494601 (E_RNA)
where:
Base-Base interactions energy: -285.993
where: short stacking energy: -143.076
Base-Backbone interact. energy: 1.219
local terms energy: -157.721155
where:
bonds (distance) C4'-P energy: -37.507
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -236.804924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.804924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.804924 (E_RNA)
where:
Base-Base interactions energy: -98.302
where: short stacking energy: -86.425
Base-Backbone interact. energy: -0.727
local terms energy: -137.775286
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -964.395409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.395409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.395409 (E_RNA)
where:
Base-Base interactions energy: -652.869
where: short stacking energy: -286.580
Base-Backbone interact. energy: -3.039
local terms energy: -308.487416
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -89.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -941.170842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.170842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.170842 (E_RNA)
where:
Base-Base interactions energy: -653.602
where: short stacking energy: -292.547
Base-Backbone interact. energy: -0.224
local terms energy: -287.343937
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -49.483
flat angles C4'-P-C4' energy: -60.948
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -81.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -903.652967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.652967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.652967 (E_RNA)
where:
Base-Base interactions energy: -628.316
where: short stacking energy: -267.470
Base-Backbone interact. energy: 0.579
local terms energy: -275.916356
where:
bonds (distance) C4'-P energy: -57.751
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -52.740
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -848.779451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.779451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.779451 (E_RNA)
where:
Base-Base interactions energy: -594.880
where: short stacking energy: -250.255
Base-Backbone interact. energy: -0.776
local terms energy: -253.124087
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -74.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -827.429014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.429014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.429014 (E_RNA)
where:
Base-Base interactions energy: -567.154
where: short stacking energy: -247.129
Base-Backbone interact. energy: -0.766
local terms energy: -259.508398
where:
bonds (distance) C4'-P energy: -48.153
bonds (distance) P-C4' energy: -40.325
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -71.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -790.815280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.815280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.815280 (E_RNA)
where:
Base-Base interactions energy: -538.587
where: short stacking energy: -245.978
Base-Backbone interact. energy: -0.074
local terms energy: -252.153871
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -52.373
flat angles C4'-P-C4' energy: -52.748
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -69.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -738.147310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.147310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.147310 (E_RNA)
where:
Base-Base interactions energy: -524.200
where: short stacking energy: -215.871
Base-Backbone interact. energy: 0.668
local terms energy: -214.615058
where:
bonds (distance) C4'-P energy: -34.338
bonds (distance) P-C4' energy: -48.588
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -57.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -542.274899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.274899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.274899 (E_RNA)
where:
Base-Base interactions energy: -335.054
where: short stacking energy: -152.974
Base-Backbone interact. energy: -0.525
local terms energy: -206.695742
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -48.106
flat angles P-C4'-P energy: -35.370
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -496.448038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.448038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.448038 (E_RNA)
where:
Base-Base interactions energy: -305.873
where: short stacking energy: -153.155
Base-Backbone interact. energy: -1.035
local terms energy: -189.539433
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -34.845
tors. eta vs tors. theta energy: -41.379
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: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -219.890600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890600 (E_RNA)
where:
Base-Base interactions energy: -95.838
where: short stacking energy: -75.724
Base-Backbone interact. energy: -1.187
local terms energy: -122.866455
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: 3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -949.915002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.915002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.915002 (E_RNA)
where:
Base-Base interactions energy: -662.834
where: short stacking energy: -284.587
Base-Backbone interact. energy: -1.484
local terms energy: -285.596850
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -54.065
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -86.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -942.715922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.715922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.715922 (E_RNA)
where:
Base-Base interactions energy: -648.793
where: short stacking energy: -268.138
Base-Backbone interact. energy: -1.505
local terms energy: -292.417937
where:
bonds (distance) C4'-P energy: -51.550
bonds (distance) P-C4' energy: -51.079
flat angles C4'-P-C4' energy: -65.174
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -80.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -890.921274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.921274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.921274 (E_RNA)
where:
Base-Base interactions energy: -621.923
where: short stacking energy: -262.574
Base-Backbone interact. energy: 0.158
local terms energy: -269.156551
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -79.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -862.015442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.015442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.015442 (E_RNA)
where:
Base-Base interactions energy: -593.221
where: short stacking energy: -256.257
Base-Backbone interact. energy: -1.521
local terms energy: -267.274010
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -51.754
flat angles C4'-P-C4' energy: -55.916
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -834.849738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.849738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.849738 (E_RNA)
where:
Base-Base interactions energy: -552.008
where: short stacking energy: -230.433
Base-Backbone interact. energy: -2.427
local terms energy: -280.414343
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -56.070
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -72.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -803.411446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.411446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.411446 (E_RNA)
where:
Base-Base interactions energy: -562.243
where: short stacking energy: -231.073
Base-Backbone interact. energy: -0.356
local terms energy: -240.812892
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -52.152
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -59.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -763.759677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.759677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.759677 (E_RNA)
where:
Base-Base interactions energy: -541.598
where: short stacking energy: -225.636
Base-Backbone interact. energy: -0.433
local terms energy: -221.728650
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -49.278
flat angles C4'-P-C4' energy: -49.764
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -52.874
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: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -577.867980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.867980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.867980 (E_RNA)
where:
Base-Base interactions energy: -365.306
where: short stacking energy: -155.316
Base-Backbone interact. energy: -1.074
local terms energy: -211.488309
where:
bonds (distance) C4'-P energy: -45.902
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -490.724879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.724879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.724879 (E_RNA)
where:
Base-Base interactions energy: -301.764
where: short stacking energy: -123.762
Base-Backbone interact. energy: -1.619
local terms energy: -187.342178
where:
bonds (distance) C4'-P energy: -41.935
bonds (distance) P-C4' energy: -43.410
flat angles C4'-P-C4' energy: -40.017
flat angles P-C4'-P energy: -35.088
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -231.416949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.416949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.416949 (E_RNA)
where:
Base-Base interactions energy: -81.627
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.863
local terms energy: -148.926944
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -45.126
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: 3.406
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: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -973.397567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.397567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.397567 (E_RNA)
where:
Base-Base interactions energy: -681.002
where: short stacking energy: -290.061
Base-Backbone interact. energy: -0.298
local terms energy: -292.097930
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -60.295
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -81.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -923.423644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.423644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.423644 (E_RNA)
where:
Base-Base interactions energy: -633.923
where: short stacking energy: -285.638
Base-Backbone interact. energy: -1.422
local terms energy: -288.078373
where:
bonds (distance) C4'-P energy: -52.296
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -59.774
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -87.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -895.685039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.685039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.685039 (E_RNA)
where:
Base-Base interactions energy: -635.376
where: short stacking energy: -258.268
Base-Backbone interact. energy: -1.724
local terms energy: -258.584308
where:
bonds (distance) C4'-P energy: -48.901
bonds (distance) P-C4' energy: -38.339
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -74.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -857.501882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.501882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.501882 (E_RNA)
where:
Base-Base interactions energy: -584.874
where: short stacking energy: -259.704
Base-Backbone interact. energy: -0.308
local terms energy: -272.319559
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -53.129
flat angles C4'-P-C4' energy: -57.044
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -70.695
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -820.333357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.333357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.333357 (E_RNA)
where:
Base-Base interactions energy: -569.228
where: short stacking energy: -245.190
Base-Backbone interact. energy: -0.636
local terms energy: -250.469549
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -49.664
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -68.370
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -786.107758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.107758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.107758 (E_RNA)
where:
Base-Base interactions energy: -544.011
where: short stacking energy: -223.079
Base-Backbone interact. energy: 0.060
local terms energy: -242.156166
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -51.297
flat angles C4'-P-C4' energy: -48.617
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -59.815
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: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -755.274133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.274133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.274133 (E_RNA)
where:
Base-Base interactions energy: -525.491
where: short stacking energy: -225.131
Base-Backbone interact. energy: 0.820
local terms energy: -230.602888
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -47.406
flat angles C4'-P-C4' energy: -50.079
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -50.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -579.512714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.512714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.512714 (E_RNA)
where:
Base-Base interactions energy: -358.143
where: short stacking energy: -155.684
Base-Backbone interact. energy: -1.872
local terms energy: -219.498262
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -53.040
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -32.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -475.591626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.591626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.591626 (E_RNA)
where:
Base-Base interactions energy: -285.769
where: short stacking energy: -139.985
Base-Backbone interact. energy: -2.191
local terms energy: -187.631586
where:
bonds (distance) C4'-P energy: -50.460
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -226.869446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.869446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.869446 (E_RNA)
where:
Base-Base interactions energy: -80.772
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.559
local terms energy: -145.538745
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -37.622
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: 6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -984.558274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.558274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.558274 (E_RNA)
where:
Base-Base interactions energy: -699.238
where: short stacking energy: -297.366
Base-Backbone interact. energy: -2.075
local terms energy: -283.245674
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -87.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -930.474934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.474934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.474934 (E_RNA)
where:
Base-Base interactions energy: -644.027
where: short stacking energy: -262.601
Base-Backbone interact. energy: -1.042
local terms energy: -285.406859
where:
bonds (distance) C4'-P energy: -53.892
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -56.847
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -78.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -910.148616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.148616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.148616 (E_RNA)
where:
Base-Base interactions energy: -637.650
where: short stacking energy: -271.520
Base-Backbone interact. energy: 0.395
local terms energy: -272.894286
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -78.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -839.260261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.260261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.260261 (E_RNA)
where:
Base-Base interactions energy: -567.624
where: short stacking energy: -231.111
Base-Backbone interact. energy: -2.454
local terms energy: -269.183068
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -47.656
flat angles C4'-P-C4' energy: -57.141
flat angles P-C4'-P energy: -44.362
tors. eta vs tors. theta energy: -66.576
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: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -806.541522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.541522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.541522 (E_RNA)
where:
Base-Base interactions energy: -558.987
where: short stacking energy: -237.375
Base-Backbone interact. energy: -0.670
local terms energy: -246.884386
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: -65.035
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: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -802.172708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.172708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.172708 (E_RNA)
where:
Base-Base interactions energy: -572.732
where: short stacking energy: -232.288
Base-Backbone interact. energy: -1.047
local terms energy: -228.393727
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -61.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -776.973521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.973521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.973521 (E_RNA)
where:
Base-Base interactions energy: -528.035
where: short stacking energy: -217.096
Base-Backbone interact. energy: -0.829
local terms energy: -248.109739
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -49.523
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -66.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -499.777041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.777041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.777041 (E_RNA)
where:
Base-Base interactions energy: -310.105
where: short stacking energy: -145.388
Base-Backbone interact. energy: -0.796
local terms energy: -188.876431
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -51.168
flat angles C4'-P-C4' energy: -40.209
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -29.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -441.206586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.206586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.206586 (E_RNA)
where:
Base-Base interactions energy: -279.618
where: short stacking energy: -122.863
Base-Backbone interact. energy: -0.911
local terms energy: -160.677824
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -17.987
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: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -225.468096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.468096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.468096 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -62.597
Base-Backbone interact. energy: -2.232
local terms energy: -151.586807
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: 3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -975.399531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.399531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.399531 (E_RNA)
where:
Base-Base interactions energy: -670.561
where: short stacking energy: -295.510
Base-Backbone interact. energy: -0.844
local terms energy: -303.995076
where:
bonds (distance) C4'-P energy: -52.629
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -62.247
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -89.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -944.625950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.625950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.625950 (E_RNA)
where:
Base-Base interactions energy: -638.818
where: short stacking energy: -289.364
Base-Backbone interact. energy: -1.105
local terms energy: -304.703633
where:
bonds (distance) C4'-P energy: -53.011
bonds (distance) P-C4' energy: -57.726
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -88.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -901.886326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.886326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.886326 (E_RNA)
where:
Base-Base interactions energy: -622.565
where: short stacking energy: -266.741
Base-Backbone interact. energy: -0.311
local terms energy: -279.010663
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -56.736
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -81.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -844.986654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.986654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.986654 (E_RNA)
where:
Base-Base interactions energy: -574.470
where: short stacking energy: -253.995
Base-Backbone interact. energy: -1.443
local terms energy: -269.074264
where:
bonds (distance) C4'-P energy: -44.269
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -80.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -818.475921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.475921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.475921 (E_RNA)
where:
Base-Base interactions energy: -557.640
where: short stacking energy: -236.289
Base-Backbone interact. energy: -0.548
local terms energy: -260.287686
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -46.246
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -69.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -797.834046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.834046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.834046 (E_RNA)
where:
Base-Base interactions energy: -556.676
where: short stacking energy: -243.948
Base-Backbone interact. energy: -0.569
local terms energy: -240.589039
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -57.523
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -807.764608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.764608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.764608 (E_RNA)
where:
Base-Base interactions energy: -557.423
where: short stacking energy: -237.026
Base-Backbone interact. energy: -1.305
local terms energy: -249.037532
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -47.584
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -28.821
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -518.027919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.027919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.027919 (E_RNA)
where:
Base-Base interactions energy: -339.255
where: short stacking energy: -173.906
Base-Backbone interact. energy: 0.215
local terms energy: -178.987942
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -48.927
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -440.568134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.568134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.568134 (E_RNA)
where:
Base-Base interactions energy: -259.556
where: short stacking energy: -127.854
Base-Backbone interact. energy: -1.913
local terms energy: -179.099294
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -28.580
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: 326
Temperature: 1.350000
Total energy: -234.178959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.178959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.178959 (E_RNA)
where:
Base-Base interactions energy: -65.809
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.228
local terms energy: -168.141364
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -55.805
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -5.325
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: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -962.700741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.700741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.700741 (E_RNA)
where:
Base-Base interactions energy: -660.075
where: short stacking energy: -283.570
Base-Backbone interact. energy: -1.013
local terms energy: -301.612778
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -59.372
flat angles C4'-P-C4' energy: -61.310
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -88.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -947.371697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.371697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.371697 (E_RNA)
where:
Base-Base interactions energy: -654.762
where: short stacking energy: -287.724
Base-Backbone interact. energy: -1.388
local terms energy: -291.221279
where:
bonds (distance) C4'-P energy: -47.743
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -89.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -916.904973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.904973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.904973 (E_RNA)
where:
Base-Base interactions energy: -632.421
where: short stacking energy: -263.397
Base-Backbone interact. energy: -1.340
local terms energy: -283.143817
where:
bonds (distance) C4'-P energy: -51.072
bonds (distance) P-C4' energy: -53.432
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -79.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -848.732610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.732610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.732610 (E_RNA)
where:
Base-Base interactions energy: -574.445
where: short stacking energy: -257.093
Base-Backbone interact. energy: -0.149
local terms energy: -274.138503
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -58.834
flat angles P-C4'-P energy: -39.298
tors. eta vs tors. theta energy: -76.462
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -796.721058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.721058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.721058 (E_RNA)
where:
Base-Base interactions energy: -537.275
where: short stacking energy: -237.633
Base-Backbone interact. energy: -0.380
local terms energy: -259.066665
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -65.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -812.242625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.242625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.242625 (E_RNA)
where:
Base-Base interactions energy: -558.467
where: short stacking energy: -241.130
Base-Backbone interact. energy: -0.183
local terms energy: -253.592777
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -50.326
flat angles P-C4'-P energy: -38.799
tors. eta vs tors. theta energy: -67.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -799.211796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.211796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.211796 (E_RNA)
where:
Base-Base interactions energy: -544.390
where: short stacking energy: -241.448
Base-Backbone interact. energy: -0.554
local terms energy: -254.267660
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -50.587
flat angles P-C4'-P energy: -48.640
tors. eta vs tors. theta energy: -63.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -502.680225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.680225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.680225 (E_RNA)
where:
Base-Base interactions energy: -324.991
where: short stacking energy: -142.169
Base-Backbone interact. energy: -0.728
local terms energy: -176.961621
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -41.059
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -438.298053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.298053 (E_RNA)
where:
Base-Base interactions energy: -245.452
where: short stacking energy: -122.529
Base-Backbone interact. energy: 0.971
local terms energy: -193.816180
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -46.892
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -22.293
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: 327
Temperature: 1.350000
Total energy: -237.726960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.726960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.726960 (E_RNA)
where:
Base-Base interactions energy: -90.318
where: short stacking energy: -59.921
Base-Backbone interact. energy: 0.109
local terms energy: -147.517754
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -51.526
flat angles C4'-P-C4' energy: -43.770
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: 7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -958.623551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.623551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.623551 (E_RNA)
where:
Base-Base interactions energy: -657.014
where: short stacking energy: -288.428
Base-Backbone interact. energy: -1.653
local terms energy: -299.956550
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -54.410
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -88.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -956.368015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.368015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.368015 (E_RNA)
where:
Base-Base interactions energy: -672.821
where: short stacking energy: -295.484
Base-Backbone interact. energy: -0.504
local terms energy: -283.043726
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -46.223
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -40.116
tors. eta vs tors. theta energy: -88.080
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: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -919.358137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.358137 (E_RNA)
where:
Base-Base interactions energy: -632.304
where: short stacking energy: -262.799
Base-Backbone interact. energy: -1.181
local terms energy: -285.872894
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -48.136
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -81.351
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: 328
Temperature: 1.050000
Total energy: -854.193711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.193711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.193711 (E_RNA)
where:
Base-Base interactions energy: -578.640
where: short stacking energy: -247.152
Base-Backbone interact. energy: 0.880
local terms energy: -276.433849
where:
bonds (distance) C4'-P energy: -49.709
bonds (distance) P-C4' energy: -47.865
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -79.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -847.669930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.669930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.669930 (E_RNA)
where:
Base-Base interactions energy: -580.163
where: short stacking energy: -251.212
Base-Backbone interact. energy: -0.716
local terms energy: -266.790519
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -49.162
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -67.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -773.162807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.162807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.162807 (E_RNA)
where:
Base-Base interactions energy: -543.509
where: short stacking energy: -233.719
Base-Backbone interact. energy: 1.562
local terms energy: -231.215910
where:
bonds (distance) C4'-P energy: -47.105
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -66.718
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: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -785.223242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.223242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.223242 (E_RNA)
where:
Base-Base interactions energy: -549.420
where: short stacking energy: -234.323
Base-Backbone interact. energy: -0.152
local terms energy: -235.650850
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -48.727
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -71.630
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -538.823445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.823445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.823445 (E_RNA)
where:
Base-Base interactions energy: -356.957
where: short stacking energy: -157.035
Base-Backbone interact. energy: 2.111
local terms energy: -183.977643
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -46.554
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -33.700
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: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -457.595437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.595437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.595437 (E_RNA)
where:
Base-Base interactions energy: -287.228
where: short stacking energy: -121.791
Base-Backbone interact. energy: -0.002
local terms energy: -170.365616
where:
bonds (distance) C4'-P energy: -43.485
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -16.850
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: 328
Temperature: 1.350000
Total energy: -256.853158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.853158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.853158 (E_RNA)
where:
Base-Base interactions energy: -117.144
where: short stacking energy: -85.475
Base-Backbone interact. energy: -1.084
local terms energy: -138.625803
where:
bonds (distance) C4'-P energy: -41.561
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -959.720917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.720917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.720917 (E_RNA)
where:
Base-Base interactions energy: -660.408
where: short stacking energy: -279.628
Base-Backbone interact. energy: -1.299
local terms energy: -298.013897
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -90.228
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: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -944.150970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.150970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.150970 (E_RNA)
where:
Base-Base interactions energy: -659.810
where: short stacking energy: -278.984
Base-Backbone interact. energy: -1.032
local terms energy: -283.308844
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -83.671
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: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -928.141903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.141903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.141903 (E_RNA)
where:
Base-Base interactions energy: -631.715
where: short stacking energy: -270.204
Base-Backbone interact. energy: -2.491
local terms energy: -293.935662
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -55.450
flat angles C4'-P-C4' energy: -60.603
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -80.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -856.610259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.610259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.610259 (E_RNA)
where:
Base-Base interactions energy: -586.164
where: short stacking energy: -271.816
Base-Backbone interact. energy: 0.139
local terms energy: -270.585427
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -79.222
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: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -815.008797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.008797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.008797 (E_RNA)
where:
Base-Base interactions energy: -557.596
where: short stacking energy: -235.963
Base-Backbone interact. energy: 0.019
local terms energy: -257.431386
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -56.979
flat angles P-C4'-P energy: -35.771
tors. eta vs tors. theta energy: -67.777
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: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -808.955186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.955186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.955186 (E_RNA)
where:
Base-Base interactions energy: -573.294
where: short stacking energy: -241.779
Base-Backbone interact. energy: 4.033
local terms energy: -239.694774
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -51.439
flat angles P-C4'-P energy: -38.483
tors. eta vs tors. theta energy: -67.641
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -773.161630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.161630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.161630 (E_RNA)
where:
Base-Base interactions energy: -541.876
where: short stacking energy: -219.558
Base-Backbone interact. energy: -0.386
local terms energy: -230.899643
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -65.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -502.851281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.851281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.851281 (E_RNA)
where:
Base-Base interactions energy: -324.305
where: short stacking energy: -148.713
Base-Backbone interact. energy: 5.276
local terms energy: -183.822802
where:
bonds (distance) C4'-P energy: -41.088
bonds (distance) P-C4' energy: -40.734
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -23.960
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -518.235592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.235592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.235592 (E_RNA)
where:
Base-Base interactions energy: -306.908
where: short stacking energy: -152.250
Base-Backbone interact. energy: 0.522
local terms energy: -211.850122
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -45.925
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -41.034
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: 329
Temperature: 1.350000
Total energy: -225.383049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.383049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.383049 (E_RNA)
where:
Base-Base interactions energy: -77.977
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.290
local terms energy: -147.116016
where:
bonds (distance) C4'-P energy: -51.108
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: 15.395
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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -958.156572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.156572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.156572 (E_RNA)
where:
Base-Base interactions energy: -677.471
where: short stacking energy: -285.753
Base-Backbone interact. energy: 0.136
local terms energy: -280.821234
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -63.636
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: -87.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -943.259702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.259702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.259702 (E_RNA)
where:
Base-Base interactions energy: -643.721
where: short stacking energy: -281.713
Base-Backbone interact. energy: -0.600
local terms energy: -298.938737
where:
bonds (distance) C4'-P energy: -57.298
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -88.669
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -920.682407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.682407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.682407 (E_RNA)
where:
Base-Base interactions energy: -646.060
where: short stacking energy: -270.651
Base-Backbone interact. energy: -1.099
local terms energy: -273.523084
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -53.783
flat angles C4'-P-C4' energy: -53.746
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -81.678
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: 330
Temperature: 1.050000
Total energy: -852.137532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.137532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.137532 (E_RNA)
where:
Base-Base interactions energy: -581.633
where: short stacking energy: -250.823
Base-Backbone interact. energy: -1.201
local terms energy: -269.303657
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: -71.350
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: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -834.617750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.617750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.617750 (E_RNA)
where:
Base-Base interactions energy: -563.309
where: short stacking energy: -258.799
Base-Backbone interact. energy: 0.720
local terms energy: -272.028428
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -78.048
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: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -798.764374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.764374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.764374 (E_RNA)
where:
Base-Base interactions energy: -550.833
where: short stacking energy: -224.971
Base-Backbone interact. energy: -0.891
local terms energy: -247.039985
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -63.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -772.695922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.695922 (E_RNA)
where:
Base-Base interactions energy: -517.790
where: short stacking energy: -227.228
Base-Backbone interact. energy: -0.682
local terms energy: -254.223480
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -49.889
flat angles P-C4'-P energy: -41.684
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: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -476.704742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.704742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.704742 (E_RNA)
where:
Base-Base interactions energy: -279.995
where: short stacking energy: -121.562
Base-Backbone interact. energy: -2.132
local terms energy: -194.577535
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -22.401
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: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -451.527784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.527784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.527784 (E_RNA)
where:
Base-Base interactions energy: -274.486
where: short stacking energy: -121.213
Base-Backbone interact. energy: 1.698
local terms energy: -178.739865
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -47.718
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -17.065
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: 330
Temperature: 1.350000
Total energy: -240.862827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.862827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.862827 (E_RNA)
where:
Base-Base interactions energy: -92.368
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.650
local terms energy: -147.845134
where:
bonds (distance) C4'-P energy: -42.223
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: 0.929
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -970.562980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.562980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.562980 (E_RNA)
where:
Base-Base interactions energy: -680.200
where: short stacking energy: -301.640
Base-Backbone interact. energy: -1.053
local terms energy: -289.310219
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -84.124
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: 331
Temperature: 0.950000
Total energy: -952.302757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.302757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.302757 (E_RNA)
where:
Base-Base interactions energy: -659.031
where: short stacking energy: -286.764
Base-Backbone interact. energy: -0.863
local terms energy: -292.409050
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -47.430
tors. eta vs tors. theta energy: -84.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -915.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.149231 (E_RNA)
where:
Base-Base interactions energy: -634.366
where: short stacking energy: -273.504
Base-Backbone interact. energy: -0.390
local terms energy: -280.392966
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -79.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -858.094844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.094844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.094844 (E_RNA)
where:
Base-Base interactions energy: -592.919
where: short stacking energy: -262.345
Base-Backbone interact. energy: -0.826
local terms energy: -264.350391
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -80.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -846.724304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.724304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.724304 (E_RNA)
where:
Base-Base interactions energy: -580.737
where: short stacking energy: -245.317
Base-Backbone interact. energy: -0.863
local terms energy: -265.124459
where:
bonds (distance) C4'-P energy: -45.018
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -77.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -802.095585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.095585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.095585 (E_RNA)
where:
Base-Base interactions energy: -549.654
where: short stacking energy: -227.279
Base-Backbone interact. energy: 0.752
local terms energy: -253.193298
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -49.331
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -62.190
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: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -777.792069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.792069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.792069 (E_RNA)
where:
Base-Base interactions energy: -537.903
where: short stacking energy: -233.622
Base-Backbone interact. energy: -0.782
local terms energy: -239.106605
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -68.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -460.467296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.467296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.467296 (E_RNA)
where:
Base-Base interactions energy: -280.382
where: short stacking energy: -135.981
Base-Backbone interact. energy: 0.288
local terms energy: -180.373342
where:
bonds (distance) C4'-P energy: -49.208
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -38.340
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -467.625114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.625114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.625114 (E_RNA)
where:
Base-Base interactions energy: -295.115
where: short stacking energy: -132.734
Base-Backbone interact. energy: -0.453
local terms energy: -172.056774
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -44.282
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -20.724
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: 331
Temperature: 1.350000
Total energy: -247.553990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.553990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.553990 (E_RNA)
where:
Base-Base interactions energy: -132.974
where: short stacking energy: -68.320
Base-Backbone interact. energy: -1.282
local terms energy: -113.297636
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -975.121113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.121113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.121113 (E_RNA)
where:
Base-Base interactions energy: -675.260
where: short stacking energy: -290.562
Base-Backbone interact. energy: -0.497
local terms energy: -299.363686
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -57.195
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -89.674
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: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -958.962064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.962064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.962064 (E_RNA)
where:
Base-Base interactions energy: -672.354
where: short stacking energy: -301.330
Base-Backbone interact. energy: -0.065
local terms energy: -286.543127
where:
bonds (distance) C4'-P energy: -47.752
bonds (distance) P-C4' energy: -43.655
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -45.266
tors. eta vs tors. theta energy: -90.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -898.503270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.503270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.503270 (E_RNA)
where:
Base-Base interactions energy: -618.493
where: short stacking energy: -259.297
Base-Backbone interact. energy: -1.641
local terms energy: -278.368609
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -52.941
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -39.103
tors. eta vs tors. theta energy: -81.176
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: 332
Temperature: 1.050000
Total energy: -872.175677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.175677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.175677 (E_RNA)
where:
Base-Base interactions energy: -601.466
where: short stacking energy: -256.990
Base-Backbone interact. energy: -0.736
local terms energy: -269.974095
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -73.481
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: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -820.707770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.707770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.707770 (E_RNA)
where:
Base-Base interactions energy: -570.849
where: short stacking energy: -234.594
Base-Backbone interact. energy: -1.557
local terms energy: -248.301859
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -34.153
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -71.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -791.510518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.510518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.510518 (E_RNA)
where:
Base-Base interactions energy: -553.274
where: short stacking energy: -225.808
Base-Backbone interact. energy: 1.776
local terms energy: -240.012489
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -56.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -767.868567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.868567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.868567 (E_RNA)
where:
Base-Base interactions energy: -524.667
where: short stacking energy: -219.766
Base-Backbone interact. energy: -0.305
local terms energy: -242.896096
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -61.422
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: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -439.735745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.735745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.735745 (E_RNA)
where:
Base-Base interactions energy: -268.464
where: short stacking energy: -128.686
Base-Backbone interact. energy: 0.969
local terms energy: -172.241037
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -39.812
flat angles C4'-P-C4' energy: -47.013
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -430.094747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.094747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.094747 (E_RNA)
where:
Base-Base interactions energy: -241.394
where: short stacking energy: -126.385
Base-Backbone interact. energy: 2.191
local terms energy: -190.892304
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -20.909
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: 332
Temperature: 1.350000
Total energy: -246.029233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.029233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.029233 (E_RNA)
where:
Base-Base interactions energy: -119.923
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.475
local terms energy: -125.631303
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: 10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -961.791244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.791244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.791244 (E_RNA)
where:
Base-Base interactions energy: -658.614
where: short stacking energy: -279.919
Base-Backbone interact. energy: -1.044
local terms energy: -302.133684
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -55.138
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -86.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -939.674920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.674920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.674920 (E_RNA)
where:
Base-Base interactions energy: -662.553
where: short stacking energy: -283.908
Base-Backbone interact. energy: -1.682
local terms energy: -275.439652
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -35.820
tors. eta vs tors. theta energy: -89.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -912.764397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.764397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.764397 (E_RNA)
where:
Base-Base interactions energy: -635.208
where: short stacking energy: -272.333
Base-Backbone interact. energy: 3.382
local terms energy: -280.939363
where:
bonds (distance) C4'-P energy: -51.174
bonds (distance) P-C4' energy: -50.902
flat angles C4'-P-C4' energy: -58.877
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -79.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -855.488937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.488937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.488937 (E_RNA)
where:
Base-Base interactions energy: -578.830
where: short stacking energy: -250.783
Base-Backbone interact. energy: -0.622
local terms energy: -276.036548
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -77.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -842.604929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.604929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.604929 (E_RNA)
where:
Base-Base interactions energy: -569.690
where: short stacking energy: -247.958
Base-Backbone interact. energy: -0.163
local terms energy: -272.752120
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -80.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -783.562212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.562212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.562212 (E_RNA)
where:
Base-Base interactions energy: -550.454
where: short stacking energy: -235.172
Base-Backbone interact. energy: 1.255
local terms energy: -234.363538
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -54.280
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -64.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -802.518063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.518063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.518063 (E_RNA)
where:
Base-Base interactions energy: -546.271
where: short stacking energy: -237.502
Base-Backbone interact. energy: -0.806
local terms energy: -255.441567
where:
bonds (distance) C4'-P energy: -51.915
bonds (distance) P-C4' energy: -51.444
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -65.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -463.968249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.968249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.968249 (E_RNA)
where:
Base-Base interactions energy: -290.888
where: short stacking energy: -128.478
Base-Backbone interact. energy: -1.326
local terms energy: -171.754422
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -40.730
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -27.886
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -437.834440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.834440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.834440 (E_RNA)
where:
Base-Base interactions energy: -261.241
where: short stacking energy: -110.063
Base-Backbone interact. energy: 1.857
local terms energy: -178.451073
where:
bonds (distance) C4'-P energy: -44.353
bonds (distance) P-C4' energy: -55.801
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -230.109268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.109268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.109268 (E_RNA)
where:
Base-Base interactions energy: -105.823
where: short stacking energy: -59.858
Base-Backbone interact. energy: 1.619
local terms energy: -125.905386
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -46.943
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: 16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -964.816690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.816690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.816690 (E_RNA)
where:
Base-Base interactions energy: -664.233
where: short stacking energy: -285.601
Base-Backbone interact. energy: -1.038
local terms energy: -299.545604
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -56.873
flat angles C4'-P-C4' energy: -61.741
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -85.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -959.603271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.603271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.603271 (E_RNA)
where:
Base-Base interactions energy: -669.940
where: short stacking energy: -285.541
Base-Backbone interact. energy: -0.286
local terms energy: -289.377040
where:
bonds (distance) C4'-P energy: -54.787
bonds (distance) P-C4' energy: -51.523
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: -82.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -915.732337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.732337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.732337 (E_RNA)
where:
Base-Base interactions energy: -633.461
where: short stacking energy: -266.677
Base-Backbone interact. energy: -0.084
local terms energy: -282.187947
where:
bonds (distance) C4'-P energy: -45.001
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -46.935
tors. eta vs tors. theta energy: -84.243
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: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -857.733212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.733212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.733212 (E_RNA)
where:
Base-Base interactions energy: -577.278
where: short stacking energy: -251.121
Base-Backbone interact. energy: -1.635
local terms energy: -278.819738
where:
bonds (distance) C4'-P energy: -61.012
bonds (distance) P-C4' energy: -50.967
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -73.798
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: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -807.286219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.286219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.286219 (E_RNA)
where:
Base-Base interactions energy: -545.102
where: short stacking energy: -240.514
Base-Backbone interact. energy: 1.147
local terms energy: -263.331255
where:
bonds (distance) C4'-P energy: -57.130
bonds (distance) P-C4' energy: -45.756
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -70.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -808.163106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.163106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.163106 (E_RNA)
where:
Base-Base interactions energy: -549.208
where: short stacking energy: -239.541
Base-Backbone interact. energy: -0.188
local terms energy: -258.767036
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -56.893
flat angles C4'-P-C4' energy: -55.140
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -72.461
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: 334
Temperature: 1.200000
Total energy: -793.879140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.879140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.879140 (E_RNA)
where:
Base-Base interactions energy: -538.571
where: short stacking energy: -218.602
Base-Backbone interact. energy: -1.747
local terms energy: -253.561312
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -56.829
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -61.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -476.390325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.390325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.390325 (E_RNA)
where:
Base-Base interactions energy: -290.957
where: short stacking energy: -144.953
Base-Backbone interact. energy: 0.525
local terms energy: -185.958245
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -43.495
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -25.153
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: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -461.614336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.614336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.614336 (E_RNA)
where:
Base-Base interactions energy: -261.286
where: short stacking energy: -119.313
Base-Backbone interact. energy: 1.856
local terms energy: -202.184138
where:
bonds (distance) C4'-P energy: -45.293
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -228.653278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.653278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.653278 (E_RNA)
where:
Base-Base interactions energy: -60.328
where: short stacking energy: -57.648
Base-Backbone interact. energy: 2.265
local terms energy: -170.591039
where:
bonds (distance) C4'-P energy: -52.024
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -5.325
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: 335
Temperature: 0.900000
Total energy: -958.411748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.411748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.411748 (E_RNA)
where:
Base-Base interactions energy: -663.301
where: short stacking energy: -290.767
Base-Backbone interact. energy: -1.605
local terms energy: -293.505446
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -65.605
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -89.182
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: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -930.242356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.242356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.242356 (E_RNA)
where:
Base-Base interactions energy: -634.161
where: short stacking energy: -267.800
Base-Backbone interact. energy: -1.532
local terms energy: -294.549680
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -61.528
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -84.431
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -908.344215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.344215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.344215 (E_RNA)
where:
Base-Base interactions energy: -621.547
where: short stacking energy: -270.600
Base-Backbone interact. energy: -1.304
local terms energy: -285.492882
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -79.100
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: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -866.595995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.595995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.595995 (E_RNA)
where:
Base-Base interactions energy: -603.444
where: short stacking energy: -248.667
Base-Backbone interact. energy: -0.983
local terms energy: -262.169429
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -47.837
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -36.491
tors. eta vs tors. theta energy: -73.662
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -797.214914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.214914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.214914 (E_RNA)
where:
Base-Base interactions energy: -542.781
where: short stacking energy: -231.258
Base-Backbone interact. energy: -0.315
local terms energy: -254.118299
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -50.470
flat angles C4'-P-C4' energy: -52.552
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -66.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -795.017743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.017743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.017743 (E_RNA)
where:
Base-Base interactions energy: -541.046
where: short stacking energy: -233.596
Base-Backbone interact. energy: 0.554
local terms energy: -254.525471
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -73.037
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: 335
Temperature: 1.200000
Total energy: -804.751540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.751540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.751540 (E_RNA)
where:
Base-Base interactions energy: -576.826
where: short stacking energy: -248.472
Base-Backbone interact. energy: -0.307
local terms energy: -227.618081
where:
bonds (distance) C4'-P energy: -32.508
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -62.302
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -69.514
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: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -534.003204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.003204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.003204 (E_RNA)
where:
Base-Base interactions energy: -331.623
where: short stacking energy: -157.484
Base-Backbone interact. energy: -0.914
local terms energy: -201.466079
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -48.566
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -35.794
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -516.496074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.496074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.496074 (E_RNA)
where:
Base-Base interactions energy: -338.781
where: short stacking energy: -146.447
Base-Backbone interact. energy: -0.500
local terms energy: -177.215398
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -37.535
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -218.057889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.057889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.057889 (E_RNA)
where:
Base-Base interactions energy: -80.577
where: short stacking energy: -67.735
Base-Backbone interact. energy: 0.710
local terms energy: -138.190843
where:
bonds (distance) C4'-P energy: -32.797
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -40.858
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: 8.188
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -970.580753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.580753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.580753 (E_RNA)
where:
Base-Base interactions energy: -677.313
where: short stacking energy: -296.388
Base-Backbone interact. energy: -0.868
local terms energy: -292.399922
where:
bonds (distance) C4'-P energy: -52.227
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -85.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -946.010345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.010345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.010345 (E_RNA)
where:
Base-Base interactions energy: -655.665
where: short stacking energy: -285.173
Base-Backbone interact. energy: -0.600
local terms energy: -289.745223
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -81.480
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: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -917.741633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.741633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.741633 (E_RNA)
where:
Base-Base interactions energy: -635.634
where: short stacking energy: -264.529
Base-Backbone interact. energy: -1.290
local terms energy: -280.817778
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -56.158
flat angles P-C4'-P energy: -44.320
tors. eta vs tors. theta energy: -81.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -862.856311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.856311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.856311 (E_RNA)
where:
Base-Base interactions energy: -603.607
where: short stacking energy: -266.443
Base-Backbone interact. energy: -0.800
local terms energy: -258.448740
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -75.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -841.440995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.440995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.440995 (E_RNA)
where:
Base-Base interactions energy: -571.884
where: short stacking energy: -234.713
Base-Backbone interact. energy: -2.035
local terms energy: -267.521378
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -52.567
flat angles C4'-P-C4' energy: -55.469
flat angles P-C4'-P energy: -45.853
tors. eta vs tors. theta energy: -70.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -766.873444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.873444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.873444 (E_RNA)
where:
Base-Base interactions energy: -532.264
where: short stacking energy: -235.327
Base-Backbone interact. energy: -0.357
local terms energy: -234.252902
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -49.830
flat angles P-C4'-P energy: -38.799
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -787.537748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.537748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.537748 (E_RNA)
where:
Base-Base interactions energy: -538.645
where: short stacking energy: -230.467
Base-Backbone interact. energy: 1.848
local terms energy: -250.740871
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -52.498
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -65.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -499.516475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.516475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.516475 (E_RNA)
where:
Base-Base interactions energy: -325.517
where: short stacking energy: -148.813
Base-Backbone interact. energy: -0.728
local terms energy: -173.271526
where:
bonds (distance) C4'-P energy: -40.586
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -23.190
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: 336
Temperature: 1.300000
Total energy: -542.015931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.015931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.015931 (E_RNA)
where:
Base-Base interactions energy: -362.419
where: short stacking energy: -152.497
Base-Backbone interact. energy: -0.322
local terms energy: -179.275664
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -39.957
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -32.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -227.885661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.885661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.885661 (E_RNA)
where:
Base-Base interactions energy: -69.997
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.804
local terms energy: -157.084529
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -47.309
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: 12.117
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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -966.095892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.095892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.095892 (E_RNA)
where:
Base-Base interactions energy: -668.944
where: short stacking energy: -294.819
Base-Backbone interact. energy: -0.669
local terms energy: -296.482871
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -56.065
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -80.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -922.234874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.234874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.234874 (E_RNA)
where:
Base-Base interactions energy: -644.125
where: short stacking energy: -274.041
Base-Backbone interact. energy: -1.337
local terms energy: -276.773053
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -43.045
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: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -949.766689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.766689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.766689 (E_RNA)
where:
Base-Base interactions energy: -664.941
where: short stacking energy: -296.915
Base-Backbone interact. energy: -2.765
local terms energy: -282.060362
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -90.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -884.357395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.357395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.357395 (E_RNA)
where:
Base-Base interactions energy: -604.946
where: short stacking energy: -265.771
Base-Backbone interact. energy: -1.127
local terms energy: -278.284242
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -48.995
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -46.965
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: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -840.613394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.613394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.613394 (E_RNA)
where:
Base-Base interactions energy: -589.540
where: short stacking energy: -261.120
Base-Backbone interact. energy: -1.044
local terms energy: -250.029459
where:
bonds (distance) C4'-P energy: -39.318
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -53.259
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -71.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -786.657846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.657846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.657846 (E_RNA)
where:
Base-Base interactions energy: -538.131
where: short stacking energy: -233.494
Base-Backbone interact. energy: -0.450
local terms energy: -248.076809
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -69.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -796.239096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.239096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.239096 (E_RNA)
where:
Base-Base interactions energy: -541.848
where: short stacking energy: -231.636
Base-Backbone interact. energy: 0.044
local terms energy: -254.435114
where:
bonds (distance) C4'-P energy: -51.226
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -62.380
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: 337
Temperature: 1.250000
Total energy: -612.699182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.699182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.699182 (E_RNA)
where:
Base-Base interactions energy: -383.422
where: short stacking energy: -182.677
Base-Backbone interact. energy: -0.433
local terms energy: -228.844207
where:
bonds (distance) C4'-P energy: -40.299
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -54.337
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -47.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -496.326483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.326483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.326483 (E_RNA)
where:
Base-Base interactions energy: -323.042
where: short stacking energy: -146.343
Base-Backbone interact. energy: -1.182
local terms energy: -172.103226
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -30.042
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: 337
Temperature: 1.350000
Total energy: -212.768971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.768971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.768971 (E_RNA)
where:
Base-Base interactions energy: -68.249
where: short stacking energy: -63.191
Base-Backbone interact. energy: 1.182
local terms energy: -145.702322
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -49.332
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: 3.485
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: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -970.867477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.867477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.867477 (E_RNA)
where:
Base-Base interactions energy: -672.269
where: short stacking energy: -300.919
Base-Backbone interact. energy: 1.368
local terms energy: -299.966968
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -51.270
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -88.262
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -922.568719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.568719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.568719 (E_RNA)
where:
Base-Base interactions energy: -639.281
where: short stacking energy: -267.165
Base-Backbone interact. energy: 1.053
local terms energy: -284.340149
where:
bonds (distance) C4'-P energy: -48.481
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -79.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -930.371890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.371890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.371890 (E_RNA)
where:
Base-Base interactions energy: -649.268
where: short stacking energy: -291.470
Base-Backbone interact. energy: -0.630
local terms energy: -280.473718
where:
bonds (distance) C4'-P energy: -46.191
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -57.650
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -89.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -857.650016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.650016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.650016 (E_RNA)
where:
Base-Base interactions energy: -592.857
where: short stacking energy: -254.689
Base-Backbone interact. energy: -0.786
local terms energy: -264.007016
where:
bonds (distance) C4'-P energy: -50.167
bonds (distance) P-C4' energy: -41.601
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -48.800
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -833.262738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.262738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.262738 (E_RNA)
where:
Base-Base interactions energy: -590.388
where: short stacking energy: -248.896
Base-Backbone interact. energy: 2.891
local terms energy: -245.765705
where:
bonds (distance) C4'-P energy: -44.569
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -56.005
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -64.228
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: 338
Temperature: 1.150000
Total energy: -802.004635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.004635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.004635 (E_RNA)
where:
Base-Base interactions energy: -561.006
where: short stacking energy: -238.088
Base-Backbone interact. energy: -0.983
local terms energy: -240.015437
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -66.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -784.838707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.838707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.838707 (E_RNA)
where:
Base-Base interactions energy: -536.861
where: short stacking energy: -226.092
Base-Backbone interact. energy: 0.412
local terms energy: -248.389656
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -584.950415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.950415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.950415 (E_RNA)
where:
Base-Base interactions energy: -383.142
where: short stacking energy: -166.055
Base-Backbone interact. energy: -0.466
local terms energy: -201.343149
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -42.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -474.360394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.360394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.360394 (E_RNA)
where:
Base-Base interactions energy: -291.355
where: short stacking energy: -140.067
Base-Backbone interact. energy: 2.302
local terms energy: -185.306874
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -46.406
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -32.241
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: 338
Temperature: 1.350000
Total energy: -219.648286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.648286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.648286 (E_RNA)
where:
Base-Base interactions energy: -60.585
where: short stacking energy: -59.563
Base-Backbone interact. energy: -1.933
local terms energy: -157.130069
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -49.476
flat angles C4'-P-C4' energy: -46.423
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -995.249723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.249723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.249723 (E_RNA)
where:
Base-Base interactions energy: -681.280
where: short stacking energy: -297.543
Base-Backbone interact. energy: -1.332
local terms energy: -312.637575
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -56.942
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -90.132
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: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -921.543524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.543524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.543524 (E_RNA)
where:
Base-Base interactions energy: -644.988
where: short stacking energy: -277.639
Base-Backbone interact. energy: -0.662
local terms energy: -275.893676
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -61.597
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -82.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -916.600804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.600804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.600804 (E_RNA)
where:
Base-Base interactions energy: -634.159
where: short stacking energy: -262.198
Base-Backbone interact. energy: -0.911
local terms energy: -281.530704
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -58.300
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -84.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -871.975851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.975851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.975851 (E_RNA)
where:
Base-Base interactions energy: -598.641
where: short stacking energy: -262.407
Base-Backbone interact. energy: -0.382
local terms energy: -272.952007
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -73.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -821.626624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.626624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.626624 (E_RNA)
where:
Base-Base interactions energy: -572.871
where: short stacking energy: -229.840
Base-Backbone interact. energy: -1.122
local terms energy: -247.634549
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -53.864
flat angles C4'-P-C4' energy: -51.392
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -71.044
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: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -776.633658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.633658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.633658 (E_RNA)
where:
Base-Base interactions energy: -532.102
where: short stacking energy: -214.440
Base-Backbone interact. energy: -0.061
local terms energy: -244.470370
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -50.583
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -59.653
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: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -793.727064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.727064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.727064 (E_RNA)
where:
Base-Base interactions energy: -525.297
where: short stacking energy: -222.742
Base-Backbone interact. energy: -1.040
local terms energy: -267.390322
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -71.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -565.220802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.220802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.220802 (E_RNA)
where:
Base-Base interactions energy: -378.764
where: short stacking energy: -177.697
Base-Backbone interact. energy: -1.037
local terms energy: -185.419674
where:
bonds (distance) C4'-P energy: -46.760
bonds (distance) P-C4' energy: -37.969
flat angles C4'-P-C4' energy: -38.901
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -431.110036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.110036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.110036 (E_RNA)
where:
Base-Base interactions energy: -231.286
where: short stacking energy: -114.029
Base-Backbone interact. energy: 0.072
local terms energy: -199.896579
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -43.924
flat angles C4'-P-C4' energy: -48.949
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -309.140083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.140083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.140083 (E_RNA)
where:
Base-Base interactions energy: -161.911
where: short stacking energy: -75.983
Base-Backbone interact. energy: 0.463
local terms energy: -147.691797
where:
bonds (distance) C4'-P energy: -45.203
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -44.999
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: 5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -968.641846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.641846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.641846 (E_RNA)
where:
Base-Base interactions energy: -662.340
where: short stacking energy: -291.327
Base-Backbone interact. energy: -0.460
local terms energy: -305.841908
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: -90.351
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: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -923.780650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.780650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.780650 (E_RNA)
where:
Base-Base interactions energy: -629.618
where: short stacking energy: -263.476
Base-Backbone interact. energy: -0.638
local terms energy: -293.524683
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -80.669
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: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -883.496640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.496640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.496640 (E_RNA)
where:
Base-Base interactions energy: -599.649
where: short stacking energy: -268.908
Base-Backbone interact. energy: -0.160
local terms energy: -283.687394
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -55.099
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -79.583
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -903.057655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.057655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.057655 (E_RNA)
where:
Base-Base interactions energy: -633.834
where: short stacking energy: -274.392
Base-Backbone interact. energy: -1.461
local terms energy: -267.763139
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -42.859
tors. eta vs tors. theta energy: -79.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -822.871224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.871224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.871224 (E_RNA)
where:
Base-Base interactions energy: -571.254
where: short stacking energy: -234.216
Base-Backbone interact. energy: 1.156
local terms energy: -252.772730
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -55.128
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -72.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -801.477316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.477316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.477316 (E_RNA)
where:
Base-Base interactions energy: -557.935
where: short stacking energy: -234.741
Base-Backbone interact. energy: -0.312
local terms energy: -243.231074
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -50.482
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -67.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -768.700149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.700149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.700149 (E_RNA)
where:
Base-Base interactions energy: -523.884
where: short stacking energy: -211.473
Base-Backbone interact. energy: -1.784
local terms energy: -243.031382
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -50.337
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -55.326
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: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -561.305844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.305844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.305844 (E_RNA)
where:
Base-Base interactions energy: -348.851
where: short stacking energy: -157.536
Base-Backbone interact. energy: 0.610
local terms energy: -213.065486
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: -32.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -296.380924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.380924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.380924 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -84.282
Base-Backbone interact. energy: 1.829
local terms energy: -160.714648
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -42.349
flat angles C4'-P-C4' energy: -43.353
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -0.373
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: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -381.886940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.886940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.886940 (E_RNA)
where:
Base-Base interactions energy: -215.976
where: short stacking energy: -104.066
Base-Backbone interact. energy: -1.337
local terms energy: -164.573405
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -972.524432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.524432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.524432 (E_RNA)
where:
Base-Base interactions energy: -674.766
where: short stacking energy: -298.649
Base-Backbone interact. energy: 0.010
local terms energy: -297.768350
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -42.597
tors. eta vs tors. theta energy: -88.026
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: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -922.354924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.354924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.354924 (E_RNA)
where:
Base-Base interactions energy: -644.934
where: short stacking energy: -270.467
Base-Backbone interact. energy: -0.895
local terms energy: -276.526735
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -56.960
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -78.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -892.878582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.878582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.878582 (E_RNA)
where:
Base-Base interactions energy: -610.937
where: short stacking energy: -269.273
Base-Backbone interact. energy: -0.455
local terms energy: -281.486387
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -58.050
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -77.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -900.179352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.179352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.179352 (E_RNA)
where:
Base-Base interactions energy: -629.998
where: short stacking energy: -274.955
Base-Backbone interact. energy: 0.619
local terms energy: -270.800860
where:
bonds (distance) C4'-P energy: -47.488
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -36.111
tors. eta vs tors. theta energy: -81.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -817.377468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.377468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.377468 (E_RNA)
where:
Base-Base interactions energy: -553.125
where: short stacking energy: -242.115
Base-Backbone interact. energy: -0.254
local terms energy: -263.997873
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -57.705
flat angles C4'-P-C4' energy: -56.898
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -64.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -798.557740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.557740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.557740 (E_RNA)
where:
Base-Base interactions energy: -546.383
where: short stacking energy: -225.540
Base-Backbone interact. energy: 1.499
local terms energy: -253.674144
where:
bonds (distance) C4'-P energy: -39.613
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -66.889
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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -783.609822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.609822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.609822 (E_RNA)
where:
Base-Base interactions energy: -532.928
where: short stacking energy: -222.408
Base-Backbone interact. energy: 0.703
local terms energy: -251.385487
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -49.524
flat angles C4'-P-C4' energy: -55.015
flat angles P-C4'-P energy: -38.095
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: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -578.544187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.544187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.544187 (E_RNA)
where:
Base-Base interactions energy: -362.148
where: short stacking energy: -174.232
Base-Backbone interact. energy: -1.941
local terms energy: -214.454754
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -41.679
flat angles C4'-P-C4' energy: -50.911
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -50.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -286.313763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.313763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.313763 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.380
local terms energy: -155.832864
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: 2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -394.539806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.539806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.539806 (E_RNA)
where:
Base-Base interactions energy: -222.733
where: short stacking energy: -121.101
Base-Backbone interact. energy: -0.728
local terms energy: -171.078721
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -37.684
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -968.388739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.388739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.388739 (E_RNA)
where:
Base-Base interactions energy: -669.590
where: short stacking energy: -292.975
Base-Backbone interact. energy: -0.347
local terms energy: -298.452340
where:
bonds (distance) C4'-P energy: -58.655
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -88.124
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -941.762454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.762454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.762454 (E_RNA)
where:
Base-Base interactions energy: -654.486
where: short stacking energy: -281.869
Base-Backbone interact. energy: -0.136
local terms energy: -287.140293
where:
bonds (distance) C4'-P energy: -42.802
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -62.385
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -86.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -930.444767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.444767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.444767 (E_RNA)
where:
Base-Base interactions energy: -654.518
where: short stacking energy: -269.322
Base-Backbone interact. energy: -0.209
local terms energy: -275.717999
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -79.796
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -858.098588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.098588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.098588 (E_RNA)
where:
Base-Base interactions energy: -591.705
where: short stacking energy: -266.913
Base-Backbone interact. energy: -1.220
local terms energy: -265.173382
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -57.648
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -76.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -834.522042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.522042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.522042 (E_RNA)
where:
Base-Base interactions energy: -575.624
where: short stacking energy: -257.315
Base-Backbone interact. energy: -0.462
local terms energy: -258.435581
where:
bonds (distance) C4'-P energy: -43.000
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -65.121
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -77.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -828.521666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.521666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.521666 (E_RNA)
where:
Base-Base interactions energy: -571.629
where: short stacking energy: -236.615
Base-Backbone interact. energy: -1.881
local terms energy: -255.011777
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -52.715
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -735.735694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.735694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.735694 (E_RNA)
where:
Base-Base interactions energy: -507.146
where: short stacking energy: -226.763
Base-Backbone interact. energy: 0.189
local terms energy: -228.778368
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -28.834
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: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -561.831403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.831403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.831403 (E_RNA)
where:
Base-Base interactions energy: -363.617
where: short stacking energy: -169.243
Base-Backbone interact. energy: -0.109
local terms energy: -198.105551
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -364.539223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.539223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.539223 (E_RNA)
where:
Base-Base interactions energy: -196.809
where: short stacking energy: -109.262
Base-Backbone interact. energy: -1.354
local terms energy: -166.376340
where:
bonds (distance) C4'-P energy: -39.827
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -305.626029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.626029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.626029 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -101.744
Base-Backbone interact. energy: 1.076
local terms energy: -158.121802
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -6.859
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: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -967.901279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.901279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.901279 (E_RNA)
where:
Base-Base interactions energy: -670.839
where: short stacking energy: -297.868
Base-Backbone interact. energy: -1.370
local terms energy: -295.692094
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -51.380
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -87.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -932.684410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.684410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.684410 (E_RNA)
where:
Base-Base interactions energy: -647.675
where: short stacking energy: -274.934
Base-Backbone interact. energy: -0.967
local terms energy: -284.042169
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -82.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -931.323170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.323170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.323170 (E_RNA)
where:
Base-Base interactions energy: -649.739
where: short stacking energy: -278.036
Base-Backbone interact. energy: -2.029
local terms energy: -279.555182
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -53.945
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -86.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -862.340998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.340998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.340998 (E_RNA)
where:
Base-Base interactions energy: -599.264
where: short stacking energy: -250.065
Base-Backbone interact. energy: -1.269
local terms energy: -261.808459
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -45.165
flat angles C4'-P-C4' energy: -60.521
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -73.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -816.535872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.535872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.535872 (E_RNA)
where:
Base-Base interactions energy: -563.790
where: short stacking energy: -257.723
Base-Backbone interact. energy: -1.482
local terms energy: -251.263881
where:
bonds (distance) C4'-P energy: -40.333
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -72.850
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -823.727179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.727179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.727179 (E_RNA)
where:
Base-Base interactions energy: -550.743
where: short stacking energy: -244.731
Base-Backbone interact. energy: -0.682
local terms energy: -272.301730
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -47.618
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -75.832
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: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -771.570546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.570546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.570546 (E_RNA)
where:
Base-Base interactions energy: -537.243
where: short stacking energy: -236.394
Base-Backbone interact. energy: -2.513
local terms energy: -231.814539
where:
bonds (distance) C4'-P energy: -42.418
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -49.590
flat angles P-C4'-P energy: -37.174
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: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -575.700621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.700621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.700621 (E_RNA)
where:
Base-Base interactions energy: -387.941
where: short stacking energy: -180.612
Base-Backbone interact. energy: -0.732
local terms energy: -187.027409
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -46.409
flat angles C4'-P-C4' energy: -38.947
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -41.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -335.343086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.343086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.343086 (E_RNA)
where:
Base-Base interactions energy: -174.938
where: short stacking energy: -100.927
Base-Backbone interact. energy: 0.121
local terms energy: -160.526108
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -297.040964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.040964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.040964 (E_RNA)
where:
Base-Base interactions energy: -151.449
where: short stacking energy: -77.138
Base-Backbone interact. energy: 0.958
local terms energy: -146.549206
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: 6.489
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: 344
Temperature: 0.900000
Total energy: -971.884078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.884078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.884078 (E_RNA)
where:
Base-Base interactions energy: -684.314
where: short stacking energy: -301.867
Base-Backbone interact. energy: 0.284
local terms energy: -287.853627
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -51.636
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -34.037
tors. eta vs tors. theta energy: -87.620
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: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -942.717286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.717286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.717286 (E_RNA)
where:
Base-Base interactions energy: -658.341
where: short stacking energy: -279.904
Base-Backbone interact. energy: 0.943
local terms energy: -285.318814
where:
bonds (distance) C4'-P energy: -47.295
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -77.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -935.610363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.610363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.610363 (E_RNA)
where:
Base-Base interactions energy: -649.668
where: short stacking energy: -287.603
Base-Backbone interact. energy: -2.359
local terms energy: -283.583003
where:
bonds (distance) C4'-P energy: -53.980
bonds (distance) P-C4' energy: -47.139
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -87.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -870.206540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.206540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.206540 (E_RNA)
where:
Base-Base interactions energy: -610.966
where: short stacking energy: -258.885
Base-Backbone interact. energy: -2.145
local terms energy: -257.095046
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -56.532
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -74.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -830.048502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.048502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.048502 (E_RNA)
where:
Base-Base interactions energy: -565.082
where: short stacking energy: -253.219
Base-Backbone interact. energy: 2.895
local terms energy: -267.861666
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -48.995
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -40.123
tors. eta vs tors. theta energy: -74.647
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -804.241551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.241551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.241551 (E_RNA)
where:
Base-Base interactions energy: -561.970
where: short stacking energy: -236.340
Base-Backbone interact. energy: 0.437
local terms energy: -242.709436
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -44.929
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -70.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -755.079008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.079008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.079008 (E_RNA)
where:
Base-Base interactions energy: -520.486
where: short stacking energy: -212.510
Base-Backbone interact. energy: 0.376
local terms energy: -234.969746
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -46.456
flat angles P-C4'-P energy: -35.321
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: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -627.012574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.012574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.012574 (E_RNA)
where:
Base-Base interactions energy: -406.211
where: short stacking energy: -172.245
Base-Backbone interact. energy: 1.715
local terms energy: -222.517241
where:
bonds (distance) C4'-P energy: -51.758
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -49.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -351.018884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.018884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.018884 (E_RNA)
where:
Base-Base interactions energy: -186.139
where: short stacking energy: -92.379
Base-Backbone interact. energy: -0.500
local terms energy: -164.380341
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -38.044
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -8.880
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: 344
Temperature: 1.350000
Total energy: -268.329679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.329679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.329679 (E_RNA)
where:
Base-Base interactions energy: -114.596
where: short stacking energy: -59.426
Base-Backbone interact. energy: -3.047
local terms energy: -150.687402
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -49.814
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: 17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -962.646922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.646922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.646922 (E_RNA)
where:
Base-Base interactions energy: -662.612
where: short stacking energy: -298.524
Base-Backbone interact. energy: -0.456
local terms energy: -299.578835
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -88.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -927.857585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.857585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.857585 (E_RNA)
where:
Base-Base interactions energy: -634.165
where: short stacking energy: -262.733
Base-Backbone interact. energy: -0.789
local terms energy: -292.903211
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -64.402
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -78.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -928.252562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.252562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.252562 (E_RNA)
where:
Base-Base interactions energy: -648.026
where: short stacking energy: -288.170
Base-Backbone interact. energy: -1.760
local terms energy: -278.466431
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -48.671
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -43.263
tors. eta vs tors. theta energy: -88.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -856.890863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.890863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.890863 (E_RNA)
where:
Base-Base interactions energy: -579.885
where: short stacking energy: -258.240
Base-Backbone interact. energy: -0.186
local terms energy: -276.820826
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -54.191
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -70.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -837.385801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.385801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.385801 (E_RNA)
where:
Base-Base interactions energy: -589.000
where: short stacking energy: -247.276
Base-Backbone interact. energy: -0.442
local terms energy: -247.943413
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -35.668
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: 345
Temperature: 1.150000
Total energy: -786.672095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.672095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.672095 (E_RNA)
where:
Base-Base interactions energy: -534.940
where: short stacking energy: -223.058
Base-Backbone interact. energy: -0.274
local terms energy: -251.458066
where:
bonds (distance) C4'-P energy: -46.781
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -63.862
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -60.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -769.623723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.623723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.623723 (E_RNA)
where:
Base-Base interactions energy: -538.223
where: short stacking energy: -244.338
Base-Backbone interact. energy: -0.608
local terms energy: -230.792466
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -64.006
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -658.975710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.975710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.975710 (E_RNA)
where:
Base-Base interactions energy: -441.225
where: short stacking energy: -180.783
Base-Backbone interact. energy: 0.487
local terms energy: -218.238102
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -45.157
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -364.062004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.062004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.062004 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -116.647
Base-Backbone interact. energy: -0.072
local terms energy: -171.908444
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -7.290
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: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -219.417682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.417682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.417682 (E_RNA)
where:
Base-Base interactions energy: -85.235
where: short stacking energy: -63.361
Base-Backbone interact. energy: 1.238
local terms energy: -135.420933
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -43.200
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: 13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -959.355084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.355084 (E_RNA)
where:
Base-Base interactions energy: -668.162
where: short stacking energy: -286.448
Base-Backbone interact. energy: -1.512
local terms energy: -289.681086
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -45.996
flat angles C4'-P-C4' energy: -60.766
flat angles P-C4'-P energy: -40.401
tors. eta vs tors. theta energy: -89.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -927.778267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.778267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.778267 (E_RNA)
where:
Base-Base interactions energy: -644.480
where: short stacking energy: -268.582
Base-Backbone interact. energy: -0.489
local terms energy: -282.809479
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -65.241
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: -76.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -928.829196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.829196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.829196 (E_RNA)
where:
Base-Base interactions energy: -637.810
where: short stacking energy: -288.143
Base-Backbone interact. energy: -0.900
local terms energy: -290.119471
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -85.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -851.449527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.449527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.449527 (E_RNA)
where:
Base-Base interactions energy: -587.118
where: short stacking energy: -264.048
Base-Backbone interact. energy: -0.515
local terms energy: -263.816107
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -71.674
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -836.029264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.029264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.029264 (E_RNA)
where:
Base-Base interactions energy: -569.171
where: short stacking energy: -262.221
Base-Backbone interact. energy: -0.645
local terms energy: -266.212775
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -47.223
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -68.058
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: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -778.281289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.281289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.281289 (E_RNA)
where:
Base-Base interactions energy: -537.809
where: short stacking energy: -232.363
Base-Backbone interact. energy: -0.733
local terms energy: -239.739447
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -66.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -764.615331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.615331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.615331 (E_RNA)
where:
Base-Base interactions energy: -536.288
where: short stacking energy: -214.538
Base-Backbone interact. energy: -1.280
local terms energy: -227.047779
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -62.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -678.667383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.667383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.667383 (E_RNA)
where:
Base-Base interactions energy: -476.812
where: short stacking energy: -206.656
Base-Backbone interact. energy: 0.191
local terms energy: -202.046180
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -31.189
tors. eta vs tors. theta energy: -51.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -342.658351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.658351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.658351 (E_RNA)
where:
Base-Base interactions energy: -164.008
where: short stacking energy: -92.156
Base-Backbone interact. energy: -0.469
local terms energy: -178.181219
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -20.348
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: 346
Temperature: 1.350000
Total energy: -226.547834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.547834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.547834 (E_RNA)
where:
Base-Base interactions energy: -74.303
where: short stacking energy: -63.280
Base-Backbone interact. energy: 2.341
local terms energy: -154.585197
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -36.702
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -6.441
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: 347
Temperature: 0.900000
Total energy: -966.806189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.806189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.806189 (E_RNA)
where:
Base-Base interactions energy: -652.851
where: short stacking energy: -281.181
Base-Backbone interact. energy: -0.694
local terms energy: -313.261204
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -61.328
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -89.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -945.892034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.892034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.892034 (E_RNA)
where:
Base-Base interactions energy: -661.933
where: short stacking energy: -276.698
Base-Backbone interact. energy: -0.671
local terms energy: -283.288818
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -49.861
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -83.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -927.210506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.210506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.210506 (E_RNA)
where:
Base-Base interactions energy: -635.631
where: short stacking energy: -281.660
Base-Backbone interact. energy: -0.344
local terms energy: -291.235509
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -78.750
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: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -837.864737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.864737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.864737 (E_RNA)
where:
Base-Base interactions energy: -570.825
where: short stacking energy: -243.908
Base-Backbone interact. energy: -0.361
local terms energy: -266.679025
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -72.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -854.504581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.504581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.504581 (E_RNA)
where:
Base-Base interactions energy: -591.890
where: short stacking energy: -259.509
Base-Backbone interact. energy: -0.525
local terms energy: -262.089475
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -52.625
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -76.525
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -782.994066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.994066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.994066 (E_RNA)
where:
Base-Base interactions energy: -534.377
where: short stacking energy: -224.791
Base-Backbone interact. energy: -1.897
local terms energy: -246.719816
where:
bonds (distance) C4'-P energy: -39.191
bonds (distance) P-C4' energy: -50.949
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -777.977411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.977411 (E_RNA)
where:
Base-Base interactions energy: -537.098
where: short stacking energy: -232.875
Base-Backbone interact. energy: -0.416
local terms energy: -240.463184
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -57.640
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -65.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -660.610501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.610501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.610501 (E_RNA)
where:
Base-Base interactions energy: -438.108
where: short stacking energy: -191.479
Base-Backbone interact. energy: -1.085
local terms energy: -221.416908
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -31.547
tors. eta vs tors. theta energy: -51.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -301.769481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.769481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.769481 (E_RNA)
where:
Base-Base interactions energy: -158.177
where: short stacking energy: -107.019
Base-Backbone interact. energy: -0.229
local terms energy: -143.363030
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -224.533005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.533005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.533005 (E_RNA)
where:
Base-Base interactions energy: -74.882
where: short stacking energy: -65.048
Base-Backbone interact. energy: 3.317
local terms energy: -152.967505
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -49.276
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -945.184790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.184790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.184790 (E_RNA)
where:
Base-Base interactions energy: -642.326
where: short stacking energy: -276.534
Base-Backbone interact. energy: -0.698
local terms energy: -302.160780
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -56.796
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -87.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -954.464037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.464037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.464037 (E_RNA)
where:
Base-Base interactions energy: -673.554
where: short stacking energy: -290.410
Base-Backbone interact. energy: -1.568
local terms energy: -279.342298
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -60.820
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -86.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -911.373134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.373134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.373134 (E_RNA)
where:
Base-Base interactions energy: -639.619
where: short stacking energy: -277.515
Base-Backbone interact. energy: -0.512
local terms energy: -271.242219
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -57.812
flat angles P-C4'-P energy: -41.871
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -844.372270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.372270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.372270 (E_RNA)
where:
Base-Base interactions energy: -586.721
where: short stacking energy: -254.011
Base-Backbone interact. energy: -0.687
local terms energy: -256.964207
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -47.968
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -30.562
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: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -830.944813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.944813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.944813 (E_RNA)
where:
Base-Base interactions energy: -568.192
where: short stacking energy: -255.278
Base-Backbone interact. energy: -0.880
local terms energy: -261.872536
where:
bonds (distance) C4'-P energy: -57.486
bonds (distance) P-C4' energy: -53.878
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -63.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -793.065397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.065397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.065397 (E_RNA)
where:
Base-Base interactions energy: -541.602
where: short stacking energy: -218.111
Base-Backbone interact. energy: 0.553
local terms energy: -252.016102
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -45.666
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -42.850
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -752.534733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.534733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.534733 (E_RNA)
where:
Base-Base interactions energy: -529.126
where: short stacking energy: -224.093
Base-Backbone interact. energy: 2.298
local terms energy: -225.707029
where:
bonds (distance) C4'-P energy: -37.561
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -64.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -586.497118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.497118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.497118 (E_RNA)
where:
Base-Base interactions energy: -382.556
where: short stacking energy: -184.381
Base-Backbone interact. energy: -0.175
local terms energy: -203.765724
where:
bonds (distance) C4'-P energy: -38.872
bonds (distance) P-C4' energy: -54.965
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -249.582449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.582449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.582449 (E_RNA)
where:
Base-Base interactions energy: -98.853
where: short stacking energy: -76.910
Base-Backbone interact. energy: 2.258
local terms energy: -152.987602
where:
bonds (distance) C4'-P energy: -50.769
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -38.614
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -2.697
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: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -260.988872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.988872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.988872 (E_RNA)
where:
Base-Base interactions energy: -108.843
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.315
local terms energy: -151.830724
where:
bonds (distance) C4'-P energy: -38.668
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -43.113
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: 0.089
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -960.039284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.039284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.039284 (E_RNA)
where:
Base-Base interactions energy: -672.905
where: short stacking energy: -289.300
Base-Backbone interact. energy: 0.570
local terms energy: -287.703555
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -59.922
flat angles P-C4'-P energy: -35.062
tors. eta vs tors. theta energy: -87.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -961.652458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.652458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.652458 (E_RNA)
where:
Base-Base interactions energy: -670.205
where: short stacking energy: -302.674
Base-Backbone interact. energy: -0.833
local terms energy: -290.614075
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -51.335
flat angles C4'-P-C4' energy: -59.544
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -88.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -926.508019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.508019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.508019 (E_RNA)
where:
Base-Base interactions energy: -641.394
where: short stacking energy: -277.053
Base-Backbone interact. energy: -0.609
local terms energy: -284.505198
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -49.055
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -42.148
tors. eta vs tors. theta energy: -82.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -840.052802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.052802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.052802 (E_RNA)
where:
Base-Base interactions energy: -564.586
where: short stacking energy: -246.201
Base-Backbone interact. energy: -0.466
local terms energy: -275.000925
where:
bonds (distance) C4'-P energy: -44.115
bonds (distance) P-C4' energy: -55.403
flat angles C4'-P-C4' energy: -61.061
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -75.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -822.220580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.220580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.220580 (E_RNA)
where:
Base-Base interactions energy: -570.579
where: short stacking energy: -244.559
Base-Backbone interact. energy: 0.277
local terms energy: -251.919071
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -46.968
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -64.026
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: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -793.127405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.127405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.127405 (E_RNA)
where:
Base-Base interactions energy: -518.182
where: short stacking energy: -220.967
Base-Backbone interact. energy: 1.047
local terms energy: -275.992712
where:
bonds (distance) C4'-P energy: -53.058
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -64.474
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: 349
Temperature: 1.200000
Total energy: -767.676187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.676187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.676187 (E_RNA)
where:
Base-Base interactions energy: -535.553
where: short stacking energy: -217.474
Base-Backbone interact. energy: 0.676
local terms energy: -232.798860
where:
bonds (distance) C4'-P energy: -40.732
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -41.323
tors. eta vs tors. theta energy: -56.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -583.927272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.927272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.927272 (E_RNA)
where:
Base-Base interactions energy: -375.500
where: short stacking energy: -175.236
Base-Backbone interact. energy: 0.783
local terms energy: -209.209519
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -41.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -240.802203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.802203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.802203 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -82.835
Base-Backbone interact. energy: -0.542
local terms energy: -144.530726
where:
bonds (distance) C4'-P energy: -36.815
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -39.425
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: 4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -243.620489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.620489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.620489 (E_RNA)
where:
Base-Base interactions energy: -84.955
where: short stacking energy: -80.605
Base-Backbone interact. energy: -1.822
local terms energy: -156.843467
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -980.174509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.174509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.174509 (E_RNA)
where:
Base-Base interactions energy: -681.888
where: short stacking energy: -296.823
Base-Backbone interact. energy: 0.075
local terms energy: -298.361698
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -51.214
flat angles C4'-P-C4' energy: -58.830
flat angles P-C4'-P energy: -45.134
tors. eta vs tors. theta energy: -89.470
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: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -947.378577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.378577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.378577 (E_RNA)
where:
Base-Base interactions energy: -663.422
where: short stacking energy: -281.489
Base-Backbone interact. energy: 1.736
local terms energy: -285.692100
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -53.977
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -83.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -871.247751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.247751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.247751 (E_RNA)
where:
Base-Base interactions energy: -602.478
where: short stacking energy: -275.102
Base-Backbone interact. energy: -0.249
local terms energy: -268.520298
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -55.604
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -79.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -906.318794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.318794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.318794 (E_RNA)
where:
Base-Base interactions energy: -642.173
where: short stacking energy: -277.358
Base-Backbone interact. energy: -0.763
local terms energy: -263.383305
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -54.761
flat angles C4'-P-C4' energy: -59.452
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -76.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -846.529621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.529621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.529621 (E_RNA)
where:
Base-Base interactions energy: -577.756
where: short stacking energy: -260.200
Base-Backbone interact. energy: 0.013
local terms energy: -268.786789
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -35.746
tors. eta vs tors. theta energy: -78.913
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -780.008086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.008086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.008086 (E_RNA)
where:
Base-Base interactions energy: -540.435
where: short stacking energy: -237.624
Base-Backbone interact. energy: -0.452
local terms energy: -239.121040
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -49.583
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -62.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -721.504450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.504450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.504450 (E_RNA)
where:
Base-Base interactions energy: -509.052
where: short stacking energy: -207.915
Base-Backbone interact. energy: -0.146
local terms energy: -212.306102
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -57.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -568.898774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.898774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.898774 (E_RNA)
where:
Base-Base interactions energy: -353.602
where: short stacking energy: -169.614
Base-Backbone interact. energy: -0.563
local terms energy: -214.734229
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -46.479
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -50.295
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: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -256.676385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.676385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.676385 (E_RNA)
where:
Base-Base interactions energy: -110.844
where: short stacking energy: -73.041
Base-Backbone interact. energy: 0.201
local terms energy: -146.033747
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -232.811928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.811928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.811928 (E_RNA)
where:
Base-Base interactions energy: -74.685
where: short stacking energy: -65.053
Base-Backbone interact. energy: -1.001
local terms energy: -157.125552
where:
bonds (distance) C4'-P energy: -42.959
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -974.749362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.749362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.749362 (E_RNA)
where:
Base-Base interactions energy: -682.868
where: short stacking energy: -292.051
Base-Backbone interact. energy: 1.221
local terms energy: -293.102578
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -63.090
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -85.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -955.883853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.883853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.883853 (E_RNA)
where:
Base-Base interactions energy: -662.250
where: short stacking energy: -296.307
Base-Backbone interact. energy: -0.588
local terms energy: -293.045706
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -51.699
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -43.507
tors. eta vs tors. theta energy: -89.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -892.259071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.259071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.259071 (E_RNA)
where:
Base-Base interactions energy: -624.077
where: short stacking energy: -280.323
Base-Backbone interact. energy: -0.790
local terms energy: -267.392382
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -42.856
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -39.322
tors. eta vs tors. theta energy: -78.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -899.471352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.471352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.471352 (E_RNA)
where:
Base-Base interactions energy: -635.551
where: short stacking energy: -257.264
Base-Backbone interact. energy: -1.299
local terms energy: -262.621685
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -42.432
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -79.291
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: 351
Temperature: 1.100000
Total energy: -819.193906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.193906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.193906 (E_RNA)
where:
Base-Base interactions energy: -549.373
where: short stacking energy: -227.658
Base-Backbone interact. energy: 0.509
local terms energy: -270.330314
where:
bonds (distance) C4'-P energy: -49.894
bonds (distance) P-C4' energy: -53.730
flat angles C4'-P-C4' energy: -53.893
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -70.461
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -797.793998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.793998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.793998 (E_RNA)
where:
Base-Base interactions energy: -554.746
where: short stacking energy: -242.314
Base-Backbone interact. energy: -0.039
local terms energy: -243.008924
where:
bonds (distance) C4'-P energy: -39.681
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -63.191
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: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -726.601079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.601079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.601079 (E_RNA)
where:
Base-Base interactions energy: -497.095
where: short stacking energy: -199.332
Base-Backbone interact. energy: -0.747
local terms energy: -228.759462
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -52.163
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -60.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -557.842835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.842835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.842835 (E_RNA)
where:
Base-Base interactions energy: -348.994
where: short stacking energy: -177.099
Base-Backbone interact. energy: -0.644
local terms energy: -208.204179
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -47.255
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -40.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -232.688761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.688761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.688761 (E_RNA)
where:
Base-Base interactions energy: -89.124
where: short stacking energy: -58.616
Base-Backbone interact. energy: 1.865
local terms energy: -145.429631
where:
bonds (distance) C4'-P energy: -43.193
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: 9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -237.911752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.911752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.911752 (E_RNA)
where:
Base-Base interactions energy: -78.715
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.204
local terms energy: -158.992441
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -44.547
flat angles P-C4'-P energy: -23.977
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: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -968.060875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.060875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.060875 (E_RNA)
where:
Base-Base interactions energy: -678.092
where: short stacking energy: -296.595
Base-Backbone interact. energy: -1.958
local terms energy: -288.010204
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -84.391
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: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -937.462857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.462857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.462857 (E_RNA)
where:
Base-Base interactions energy: -648.019
where: short stacking energy: -274.890
Base-Backbone interact. energy: -0.101
local terms energy: -289.342892
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -86.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -920.551804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.551804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.551804 (E_RNA)
where:
Base-Base interactions energy: -628.386
where: short stacking energy: -274.607
Base-Backbone interact. energy: -0.107
local terms energy: -292.058606
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -54.110
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -79.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -865.625063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.625063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.625063 (E_RNA)
where:
Base-Base interactions energy: -579.282
where: short stacking energy: -261.099
Base-Backbone interact. energy: -0.520
local terms energy: -285.823779
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -82.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -806.026231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.026231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.026231 (E_RNA)
where:
Base-Base interactions energy: -556.221
where: short stacking energy: -241.541
Base-Backbone interact. energy: -0.665
local terms energy: -249.139807
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -48.717
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -69.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -795.498538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.498538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.498538 (E_RNA)
where:
Base-Base interactions energy: -546.663
where: short stacking energy: -227.943
Base-Backbone interact. energy: -0.699
local terms energy: -248.136669
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -40.579
flat angles C4'-P-C4' energy: -58.101
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -70.748
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: 352
Temperature: 1.200000
Total energy: -754.658032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.658032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.658032 (E_RNA)
where:
Base-Base interactions energy: -522.654
where: short stacking energy: -211.116
Base-Backbone interact. energy: -3.114
local terms energy: -228.890086
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -45.612
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -55.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -607.422931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.422931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.422931 (E_RNA)
where:
Base-Base interactions energy: -386.748
where: short stacking energy: -174.482
Base-Backbone interact. energy: 2.712
local terms energy: -223.386416
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -55.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -243.620642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.620642 (E_RNA)
where:
Base-Base interactions energy: -86.632
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.875
local terms energy: -156.113082
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -43.942
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: 4.271
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: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -229.900229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.900229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.900229 (E_RNA)
where:
Base-Base interactions energy: -86.568
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.608
local terms energy: -142.723678
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -42.398
flat angles P-C4'-P energy: -27.906
tors. eta vs tors. theta energy: 5.126
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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -966.099789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.099789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.099789 (E_RNA)
where:
Base-Base interactions energy: -668.195
where: short stacking energy: -298.153
Base-Backbone interact. energy: -2.053
local terms energy: -295.851215
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -61.023
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -84.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -945.222421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.222421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.222421 (E_RNA)
where:
Base-Base interactions energy: -658.598
where: short stacking energy: -287.126
Base-Backbone interact. energy: -1.884
local terms energy: -284.741206
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -51.473
flat angles C4'-P-C4' energy: -62.387
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -82.902
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: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -932.378894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.378894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.378894 (E_RNA)
where:
Base-Base interactions energy: -659.081
where: short stacking energy: -281.715
Base-Backbone interact. energy: -0.639
local terms energy: -272.659303
where:
bonds (distance) C4'-P energy: -44.457
bonds (distance) P-C4' energy: -49.107
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: -76.956
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: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -829.197674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.197674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.197674 (E_RNA)
where:
Base-Base interactions energy: -567.211
where: short stacking energy: -243.245
Base-Backbone interact. energy: -0.896
local terms energy: -261.090005
where:
bonds (distance) C4'-P energy: -46.142
bonds (distance) P-C4' energy: -51.263
flat angles C4'-P-C4' energy: -53.122
flat angles P-C4'-P energy: -37.811
tors. eta vs tors. theta energy: -72.752
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: 353
Temperature: 1.100000
Total energy: -843.951346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.951346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.951346 (E_RNA)
where:
Base-Base interactions energy: -590.224
where: short stacking energy: -254.309
Base-Backbone interact. energy: -0.351
local terms energy: -253.376005
where:
bonds (distance) C4'-P energy: -36.444
bonds (distance) P-C4' energy: -49.011
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -76.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -769.501248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.501248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.501248 (E_RNA)
where:
Base-Base interactions energy: -531.061
where: short stacking energy: -219.354
Base-Backbone interact. energy: -2.265
local terms energy: -236.175480
where:
bonds (distance) C4'-P energy: -41.417
bonds (distance) P-C4' energy: -44.133
flat angles C4'-P-C4' energy: -52.313
flat angles P-C4'-P energy: -32.842
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -768.269385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.269385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.269385 (E_RNA)
where:
Base-Base interactions energy: -536.813
where: short stacking energy: -216.760
Base-Backbone interact. energy: -2.757
local terms energy: -228.699261
where:
bonds (distance) C4'-P energy: -37.760
bonds (distance) P-C4' energy: -50.579
flat angles C4'-P-C4' energy: -48.892
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -62.355
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: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -608.506809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.506809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.506809 (E_RNA)
where:
Base-Base interactions energy: -386.053
where: short stacking energy: -184.834
Base-Backbone interact. energy: -0.506
local terms energy: -221.947382
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -44.997
flat angles P-C4'-P energy: -35.736
tors. eta vs tors. theta energy: -47.466
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -252.712997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.712997 (E_RNA)
where:
Base-Base interactions energy: -68.526
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.023
local terms energy: -184.164255
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -55.705
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: 1.631
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: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -224.767241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.767241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.767241 (E_RNA)
where:
Base-Base interactions energy: -82.337
where: short stacking energy: -70.243
Base-Backbone interact. energy: -1.691
local terms energy: -140.739970
where:
bonds (distance) C4'-P energy: -32.669
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -45.050
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: 8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -960.648002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.648002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.648002 (E_RNA)
where:
Base-Base interactions energy: -668.758
where: short stacking energy: -282.797
Base-Backbone interact. energy: -0.932
local terms energy: -290.958136
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -87.622
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: 354
Temperature: 0.950000
Total energy: -972.763982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.763982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.763982 (E_RNA)
where:
Base-Base interactions energy: -679.267
where: short stacking energy: -291.566
Base-Backbone interact. energy: -0.487
local terms energy: -293.009497
where:
bonds (distance) C4'-P energy: -51.859
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: -83.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -917.129320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.129320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.129320 (E_RNA)
where:
Base-Base interactions energy: -635.693
where: short stacking energy: -285.501
Base-Backbone interact. energy: -0.978
local terms energy: -280.458392
where:
bonds (distance) C4'-P energy: -41.929
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -59.793
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -85.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -835.609866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.609866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.609866 (E_RNA)
where:
Base-Base interactions energy: -580.830
where: short stacking energy: -254.805
Base-Backbone interact. energy: -0.268
local terms energy: -254.511632
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -39.962
tors. eta vs tors. theta energy: -66.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -847.929058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.929058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.929058 (E_RNA)
where:
Base-Base interactions energy: -590.195
where: short stacking energy: -261.707
Base-Backbone interact. energy: 0.490
local terms energy: -258.224052
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -80.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -774.905839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.905839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.905839 (E_RNA)
where:
Base-Base interactions energy: -542.878
where: short stacking energy: -230.729
Base-Backbone interact. energy: -0.481
local terms energy: -231.545974
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -28.304
tors. eta vs tors. theta energy: -68.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -773.863278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.863278 (E_RNA)
where:
Base-Base interactions energy: -536.054
where: short stacking energy: -239.867
Base-Backbone interact. energy: -1.246
local terms energy: -236.562830
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -65.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -610.586451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.586451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.586451 (E_RNA)
where:
Base-Base interactions energy: -396.351
where: short stacking energy: -191.083
Base-Backbone interact. energy: -0.770
local terms energy: -213.465954
where:
bonds (distance) C4'-P energy: -46.893
bonds (distance) P-C4' energy: -53.065
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -234.047775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.047775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047775 (E_RNA)
where:
Base-Base interactions energy: -89.357
where: short stacking energy: -75.733
Base-Backbone interact. energy: -0.643
local terms energy: -144.048355
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -48.231
flat angles C4'-P-C4' energy: -39.906
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: 2.831
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: 354
Temperature: 1.350000
Total energy: -248.820987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.820987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.820987 (E_RNA)
where:
Base-Base interactions energy: -95.016
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.938
local terms energy: -152.867092
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -958.206902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.206902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.206902 (E_RNA)
where:
Base-Base interactions energy: -664.860
where: short stacking energy: -290.262
Base-Backbone interact. energy: 0.671
local terms energy: -294.018268
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -54.981
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: -83.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -932.773438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.773438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.773438 (E_RNA)
where:
Base-Base interactions energy: -639.581
where: short stacking energy: -286.440
Base-Backbone interact. energy: 0.668
local terms energy: -293.860551
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -84.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -936.160778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.160778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.160778 (E_RNA)
where:
Base-Base interactions energy: -658.740
where: short stacking energy: -287.168
Base-Backbone interact. energy: -0.397
local terms energy: -277.023836
where:
bonds (distance) C4'-P energy: -48.530
bonds (distance) P-C4' energy: -44.426
flat angles C4'-P-C4' energy: -58.562
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -87.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -853.120620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.120620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.120620 (E_RNA)
where:
Base-Base interactions energy: -584.327
where: short stacking energy: -262.817
Base-Backbone interact. energy: -0.367
local terms energy: -268.426473
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -45.252
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: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -791.830919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.830919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.830919 (E_RNA)
where:
Base-Base interactions energy: -549.826
where: short stacking energy: -243.597
Base-Backbone interact. energy: 0.362
local terms energy: -242.366254
where:
bonds (distance) C4'-P energy: -46.022
bonds (distance) P-C4' energy: -44.937
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -67.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -790.297017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.297017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.297017 (E_RNA)
where:
Base-Base interactions energy: -543.861
where: short stacking energy: -242.854
Base-Backbone interact. energy: -0.352
local terms energy: -246.083543
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -62.546
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -67.860
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: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -775.226992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.226992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.226992 (E_RNA)
where:
Base-Base interactions energy: -524.049
where: short stacking energy: -223.853
Base-Backbone interact. energy: -0.711
local terms energy: -250.466564
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -34.877
tors. eta vs tors. theta energy: -64.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -600.380531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.380531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.380531 (E_RNA)
where:
Base-Base interactions energy: -387.431
where: short stacking energy: -165.576
Base-Backbone interact. energy: -0.301
local terms energy: -212.647666
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -43.392
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -43.203
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: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -256.261961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.261961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.261961 (E_RNA)
where:
Base-Base interactions energy: -102.778
where: short stacking energy: -77.143
Base-Backbone interact. energy: -1.326
local terms energy: -152.157413
where:
bonds (distance) C4'-P energy: -45.386
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -243.332601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.332601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.332601 (E_RNA)
where:
Base-Base interactions energy: -93.661
where: short stacking energy: -91.167
Base-Backbone interact. energy: -0.066
local terms energy: -149.605991
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -37.726
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: 2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -958.426395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.426395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.426395 (E_RNA)
where:
Base-Base interactions energy: -660.168
where: short stacking energy: -289.847
Base-Backbone interact. energy: -0.459
local terms energy: -297.799034
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -60.035
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -80.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -940.813936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.813936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.813936 (E_RNA)
where:
Base-Base interactions energy: -663.528
where: short stacking energy: -272.030
Base-Backbone interact. energy: 3.142
local terms energy: -280.428472
where:
bonds (distance) C4'-P energy: -60.007
bonds (distance) P-C4' energy: -45.418
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -81.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -919.778666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.778666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.778666 (E_RNA)
where:
Base-Base interactions energy: -639.695
where: short stacking energy: -281.673
Base-Backbone interact. energy: -1.375
local terms energy: -278.708792
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -57.056
flat angles P-C4'-P energy: -35.273
tors. eta vs tors. theta energy: -92.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -843.223528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.223528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.223528 (E_RNA)
where:
Base-Base interactions energy: -575.749
where: short stacking energy: -256.853
Base-Backbone interact. energy: -0.089
local terms energy: -267.386406
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -81.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -837.977635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.977635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.977635 (E_RNA)
where:
Base-Base interactions energy: -580.127
where: short stacking energy: -244.800
Base-Backbone interact. energy: -1.140
local terms energy: -256.710101
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -47.231
flat angles C4'-P-C4' energy: -55.871
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -80.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -794.159033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.159033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.159033 (E_RNA)
where:
Base-Base interactions energy: -549.248
where: short stacking energy: -237.261
Base-Backbone interact. energy: -0.474
local terms energy: -244.436374
where:
bonds (distance) C4'-P energy: -52.682
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -37.058
tors. eta vs tors. theta energy: -68.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -784.580442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.580442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.580442 (E_RNA)
where:
Base-Base interactions energy: -543.537
where: short stacking energy: -232.715
Base-Backbone interact. energy: 3.038
local terms energy: -244.080897
where:
bonds (distance) C4'-P energy: -49.396
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -62.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -595.620827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.620827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.620827 (E_RNA)
where:
Base-Base interactions energy: -381.609
where: short stacking energy: -177.920
Base-Backbone interact. energy: -0.352
local terms energy: -213.659113
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -48.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -274.537530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.537530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.537530 (E_RNA)
where:
Base-Base interactions energy: -107.826
where: short stacking energy: -75.557
Base-Backbone interact. energy: -0.701
local terms energy: -166.011080
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -39.592
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -25.328
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -236.287243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.287243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.287243 (E_RNA)
where:
Base-Base interactions energy: -86.148
where: short stacking energy: -77.644
Base-Backbone interact. energy: 1.501
local terms energy: -151.640455
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -970.498196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.498196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.498196 (E_RNA)
where:
Base-Base interactions energy: -689.139
where: short stacking energy: -304.410
Base-Backbone interact. energy: 0.784
local terms energy: -282.143827
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -52.790
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -87.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -936.925258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.925258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.925258 (E_RNA)
where:
Base-Base interactions energy: -636.194
where: short stacking energy: -286.093
Base-Backbone interact. energy: -0.298
local terms energy: -300.433020
where:
bonds (distance) C4'-P energy: -60.639
bonds (distance) P-C4' energy: -56.907
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -44.131
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: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -918.135756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.135756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.135756 (E_RNA)
where:
Base-Base interactions energy: -640.337
where: short stacking energy: -266.078
Base-Backbone interact. energy: -0.985
local terms energy: -276.813593
where:
bonds (distance) C4'-P energy: -47.018
bonds (distance) P-C4' energy: -46.986
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -79.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -842.261611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.261611 (E_RNA)
where:
Base-Base interactions energy: -587.076
where: short stacking energy: -253.715
Base-Backbone interact. energy: -1.370
local terms energy: -253.815775
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -52.317
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -77.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -824.501334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.501334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.501334 (E_RNA)
where:
Base-Base interactions energy: -561.180
where: short stacking energy: -242.336
Base-Backbone interact. energy: 1.143
local terms energy: -264.463937
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -52.559
flat angles C4'-P-C4' energy: -52.463
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -73.342
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -819.853677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.853677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.853677 (E_RNA)
where:
Base-Base interactions energy: -554.476
where: short stacking energy: -230.687
Base-Backbone interact. energy: -2.412
local terms energy: -262.965794
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -71.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -792.922671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.922671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.922671 (E_RNA)
where:
Base-Base interactions energy: -565.139
where: short stacking energy: -236.328
Base-Backbone interact. energy: -2.903
local terms energy: -224.881028
where:
bonds (distance) C4'-P energy: -45.865
bonds (distance) P-C4' energy: -30.295
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -68.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -643.974775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.974775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.974775 (E_RNA)
where:
Base-Base interactions energy: -419.683
where: short stacking energy: -197.418
Base-Backbone interact. energy: -1.109
local terms energy: -223.183242
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -43.092
flat angles C4'-P-C4' energy: -49.468
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -297.285821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.285821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.285821 (E_RNA)
where:
Base-Base interactions energy: -138.425
where: short stacking energy: -82.600
Base-Backbone interact. energy: -0.967
local terms energy: -157.893575
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: 2.109
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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -235.207551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.207551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.207551 (E_RNA)
where:
Base-Base interactions energy: -93.396
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.935
local terms energy: -140.876561
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -43.206
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -4.938
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: 358
Temperature: 0.900000
Total energy: -969.056608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.056608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.056608 (E_RNA)
where:
Base-Base interactions energy: -671.502
where: short stacking energy: -290.328
Base-Backbone interact. energy: -0.400
local terms energy: -297.155264
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -53.230
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -84.683
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: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -937.274367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.274367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.274367 (E_RNA)
where:
Base-Base interactions energy: -633.146
where: short stacking energy: -274.728
Base-Backbone interact. energy: -2.364
local terms energy: -301.763708
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -48.326
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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -930.639261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.639261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.639261 (E_RNA)
where:
Base-Base interactions energy: -658.681
where: short stacking energy: -283.967
Base-Backbone interact. energy: 0.797
local terms energy: -272.755385
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -55.816
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -78.796
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -841.910054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.910054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.910054 (E_RNA)
where:
Base-Base interactions energy: -572.284
where: short stacking energy: -229.322
Base-Backbone interact. energy: 2.794
local terms energy: -272.420550
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -49.013
flat angles C4'-P-C4' energy: -57.443
flat angles P-C4'-P energy: -49.224
tors. eta vs tors. theta energy: -65.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -836.199770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.199770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.199770 (E_RNA)
where:
Base-Base interactions energy: -581.963
where: short stacking energy: -259.860
Base-Backbone interact. energy: -0.764
local terms energy: -253.473244
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -57.299
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -70.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -817.718133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.718133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.718133 (E_RNA)
where:
Base-Base interactions energy: -560.112
where: short stacking energy: -243.674
Base-Backbone interact. energy: -0.742
local terms energy: -256.863481
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -38.974
tors. eta vs tors. theta energy: -73.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -786.142994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.142994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.142994 (E_RNA)
where:
Base-Base interactions energy: -542.120
where: short stacking energy: -230.008
Base-Backbone interact. energy: 0.218
local terms energy: -244.240515
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -67.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -667.254555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.254555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.254555 (E_RNA)
where:
Base-Base interactions energy: -451.320
where: short stacking energy: -202.903
Base-Backbone interact. energy: -1.036
local terms energy: -214.898991
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -45.275
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -47.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -291.671241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.671241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.671241 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -88.152
Base-Backbone interact. energy: -0.125
local terms energy: -167.125598
where:
bonds (distance) C4'-P energy: -47.731
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -10.078
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: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -228.358905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.358905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.358905 (E_RNA)
where:
Base-Base interactions energy: -76.193
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.451
local terms energy: -151.714636
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -42.547
flat angles C4'-P-C4' energy: -38.611
flat angles P-C4'-P energy: -25.966
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: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -980.149810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.149810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.149810 (E_RNA)
where:
Base-Base interactions energy: -678.879
where: short stacking energy: -299.048
Base-Backbone interact. energy: -0.528
local terms energy: -300.742849
where:
bonds (distance) C4'-P energy: -56.614
bonds (distance) P-C4' energy: -55.002
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -87.463
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: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -949.449266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.449266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.449266 (E_RNA)
where:
Base-Base interactions energy: -666.144
where: short stacking energy: -293.324
Base-Backbone interact. energy: -0.716
local terms energy: -282.589959
where:
bonds (distance) C4'-P energy: -43.518
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -86.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -921.396260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.396260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.396260 (E_RNA)
where:
Base-Base interactions energy: -643.463
where: short stacking energy: -280.060
Base-Backbone interact. energy: -0.233
local terms energy: -277.700398
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -55.133
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -39.854
tors. eta vs tors. theta energy: -79.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -844.415774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.415774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.415774 (E_RNA)
where:
Base-Base interactions energy: -592.086
where: short stacking energy: -260.458
Base-Backbone interact. energy: -0.587
local terms energy: -251.742704
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -43.538
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -65.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -829.653602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.653602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.653602 (E_RNA)
where:
Base-Base interactions energy: -572.783
where: short stacking energy: -251.123
Base-Backbone interact. energy: -0.322
local terms energy: -256.547957
where:
bonds (distance) C4'-P energy: -43.442
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -52.732
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -66.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -812.365730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.365730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.365730 (E_RNA)
where:
Base-Base interactions energy: -549.664
where: short stacking energy: -240.530
Base-Backbone interact. energy: 1.318
local terms energy: -264.020166
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -62.749
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: -67.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -796.560543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.560543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.560543 (E_RNA)
where:
Base-Base interactions energy: -544.550
where: short stacking energy: -231.560
Base-Backbone interact. energy: 2.039
local terms energy: -254.049629
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -51.980
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -70.039
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: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -613.910595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.910595 (E_RNA)
where:
Base-Base interactions energy: -399.812
where: short stacking energy: -181.133
Base-Backbone interact. energy: -0.429
local terms energy: -213.669960
where:
bonds (distance) C4'-P energy: -41.582
bonds (distance) P-C4' energy: -43.672
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -44.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -257.368386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.368386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.368386 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -76.710
Base-Backbone interact. energy: 0.564
local terms energy: -128.115309
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: 0.793
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -219.499594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.499594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.499594 (E_RNA)
where:
Base-Base interactions energy: -92.419
where: short stacking energy: -64.862
Base-Backbone interact. energy: 1.028
local terms energy: -128.108900
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: 14.293
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: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -979.159608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.159608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.159608 (E_RNA)
where:
Base-Base interactions energy: -681.416
where: short stacking energy: -291.973
Base-Backbone interact. energy: -1.471
local terms energy: -296.272530
where:
bonds (distance) C4'-P energy: -42.314
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -81.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -944.038490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.038490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.038490 (E_RNA)
where:
Base-Base interactions energy: -651.542
where: short stacking energy: -287.604
Base-Backbone interact. energy: 0.778
local terms energy: -293.274849
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -927.931056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.931056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.931056 (E_RNA)
where:
Base-Base interactions energy: -652.347
where: short stacking energy: -279.011
Base-Backbone interact. energy: -0.982
local terms energy: -274.602655
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -79.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -841.019969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.019969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.019969 (E_RNA)
where:
Base-Base interactions energy: -574.582
where: short stacking energy: -248.290
Base-Backbone interact. energy: 0.363
local terms energy: -266.800207
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -52.127
flat angles C4'-P-C4' energy: -58.870
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -77.027
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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -808.173823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.173823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.173823 (E_RNA)
where:
Base-Base interactions energy: -563.580
where: short stacking energy: -234.408
Base-Backbone interact. energy: -0.501
local terms energy: -244.092179
where:
bonds (distance) C4'-P energy: -43.135
bonds (distance) P-C4' energy: -56.617
flat angles C4'-P-C4' energy: -48.546
flat angles P-C4'-P energy: -32.899
tors. eta vs tors. theta energy: -62.895
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -826.043760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.043760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.043760 (E_RNA)
where:
Base-Base interactions energy: -568.561
where: short stacking energy: -247.061
Base-Backbone interact. energy: -0.496
local terms energy: -256.986982
where:
bonds (distance) C4'-P energy: -43.201
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -37.624
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -772.514570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.514570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.514570 (E_RNA)
where:
Base-Base interactions energy: -533.048
where: short stacking energy: -226.568
Base-Backbone interact. energy: 0.151
local terms energy: -239.617922
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -39.191
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -62.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -640.268591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.268591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.268591 (E_RNA)
where:
Base-Base interactions energy: -429.927
where: short stacking energy: -188.501
Base-Backbone interact. energy: -0.290
local terms energy: -210.051263
where:
bonds (distance) C4'-P energy: -42.879
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -44.367
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -38.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -251.104317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.104317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.104317 (E_RNA)
where:
Base-Base interactions energy: -103.258
where: short stacking energy: -94.403
Base-Backbone interact. energy: -1.274
local terms energy: -146.571484
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -10.510
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: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -283.649054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.649054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.649054 (E_RNA)
where:
Base-Base interactions energy: -122.075
where: short stacking energy: -64.009
Base-Backbone interact. energy: 0.598
local terms energy: -162.172078
where:
bonds (distance) C4'-P energy: -42.874
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -26.696
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -973.121462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.121462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.121462 (E_RNA)
where:
Base-Base interactions energy: -683.299
where: short stacking energy: -298.175
Base-Backbone interact. energy: 0.420
local terms energy: -290.242526
where:
bonds (distance) C4'-P energy: -50.590
bonds (distance) P-C4' energy: -49.834
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -89.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -940.692924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.692924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.692924 (E_RNA)
where:
Base-Base interactions energy: -656.047
where: short stacking energy: -288.005
Base-Backbone interact. energy: -1.871
local terms energy: -282.774618
where:
bonds (distance) C4'-P energy: -42.774
bonds (distance) P-C4' energy: -52.792
flat angles C4'-P-C4' energy: -65.423
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -81.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -918.788803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.788803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.788803 (E_RNA)
where:
Base-Base interactions energy: -645.291
where: short stacking energy: -273.046
Base-Backbone interact. energy: -2.685
local terms energy: -270.813697
where:
bonds (distance) C4'-P energy: -42.085
bonds (distance) P-C4' energy: -50.498
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -76.053
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: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -838.932812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.932812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.932812 (E_RNA)
where:
Base-Base interactions energy: -583.896
where: short stacking energy: -258.174
Base-Backbone interact. energy: -0.283
local terms energy: -254.753814
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -45.853
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -73.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -816.788996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.788996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.788996 (E_RNA)
where:
Base-Base interactions energy: -544.799
where: short stacking energy: -239.619
Base-Backbone interact. energy: -0.681
local terms energy: -271.308924
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -76.356
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: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -814.108652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.108652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.108652 (E_RNA)
where:
Base-Base interactions energy: -563.783
where: short stacking energy: -248.893
Base-Backbone interact. energy: -0.561
local terms energy: -249.764987
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -73.089
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: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -813.203515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.203515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.203515 (E_RNA)
where:
Base-Base interactions energy: -549.494
where: short stacking energy: -228.716
Base-Backbone interact. energy: -0.880
local terms energy: -262.829197
where:
bonds (distance) C4'-P energy: -55.233
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -49.354
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -74.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -594.251601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.251601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.251601 (E_RNA)
where:
Base-Base interactions energy: -374.161
where: short stacking energy: -166.958
Base-Backbone interact. energy: 2.605
local terms energy: -222.695789
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -42.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -262.587194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.587194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.587194 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -94.039
Base-Backbone interact. energy: 0.225
local terms energy: -157.513911
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -1.227
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: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -278.398864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.398864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.398864 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.494
local terms energy: -148.369194
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -45.185
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -1.301
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: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -970.445898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.445898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.445898 (E_RNA)
where:
Base-Base interactions energy: -687.941
where: short stacking energy: -300.130
Base-Backbone interact. energy: -0.695
local terms energy: -281.810352
where:
bonds (distance) C4'-P energy: -53.540
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -88.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -945.809794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.809794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.809794 (E_RNA)
where:
Base-Base interactions energy: -655.897
where: short stacking energy: -293.240
Base-Backbone interact. energy: -0.916
local terms energy: -288.996796
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -53.605
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -91.013
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -918.574288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.574288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.574288 (E_RNA)
where:
Base-Base interactions energy: -647.366
where: short stacking energy: -286.719
Base-Backbone interact. energy: -1.047
local terms energy: -270.161422
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -63.691
flat angles P-C4'-P energy: -40.822
tors. eta vs tors. theta energy: -78.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -825.726521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.726521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.726521 (E_RNA)
where:
Base-Base interactions energy: -567.233
where: short stacking energy: -253.139
Base-Backbone interact. energy: 0.798
local terms energy: -259.292006
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -66.466
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: 362
Temperature: 1.100000
Total energy: -831.965993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.965993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.965993 (E_RNA)
where:
Base-Base interactions energy: -572.572
where: short stacking energy: -239.140
Base-Backbone interact. energy: -0.284
local terms energy: -259.110413
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -71.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -784.768755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.768755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.768755 (E_RNA)
where:
Base-Base interactions energy: -535.464
where: short stacking energy: -231.475
Base-Backbone interact. energy: -1.649
local terms energy: -247.656174
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -57.009
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -63.129
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -793.320416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.320416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.320416 (E_RNA)
where:
Base-Base interactions energy: -556.184
where: short stacking energy: -246.039
Base-Backbone interact. energy: 0.007
local terms energy: -237.142862
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -56.036
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -69.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -643.324225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.324225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.324225 (E_RNA)
where:
Base-Base interactions energy: -425.060
where: short stacking energy: -197.507
Base-Backbone interact. energy: -1.604
local terms energy: -216.659617
where:
bonds (distance) C4'-P energy: -39.716
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -50.610
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -56.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -292.577423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.577423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.577423 (E_RNA)
where:
Base-Base interactions energy: -141.091
where: short stacking energy: -86.900
Base-Backbone interact. energy: -1.309
local terms energy: -150.177973
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -1.234
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: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -231.158456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158456 (E_RNA)
where:
Base-Base interactions energy: -100.759
where: short stacking energy: -62.398
Base-Backbone interact. energy: 0.621
local terms energy: -131.020270
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -46.752
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: 19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -985.173273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.173273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.173273 (E_RNA)
where:
Base-Base interactions energy: -679.472
where: short stacking energy: -296.925
Base-Backbone interact. energy: -1.144
local terms energy: -304.557695
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -50.076
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -89.406
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: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -946.907952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.907952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.907952 (E_RNA)
where:
Base-Base interactions energy: -666.172
where: short stacking energy: -293.475
Base-Backbone interact. energy: -0.675
local terms energy: -280.060950
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -63.868
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -86.593
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -904.413034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.413034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.413034 (E_RNA)
where:
Base-Base interactions energy: -623.309
where: short stacking energy: -275.187
Base-Backbone interact. energy: -1.681
local terms energy: -279.423105
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -38.482
tors. eta vs tors. theta energy: -80.144
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -829.341402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.341402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.341402 (E_RNA)
where:
Base-Base interactions energy: -564.718
where: short stacking energy: -264.354
Base-Backbone interact. energy: -0.223
local terms energy: -264.399774
where:
bonds (distance) C4'-P energy: -46.268
bonds (distance) P-C4' energy: -57.991
flat angles C4'-P-C4' energy: -44.852
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -72.723
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: 363
Temperature: 1.100000
Total energy: -805.886014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.886014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.886014 (E_RNA)
where:
Base-Base interactions energy: -561.452
where: short stacking energy: -244.150
Base-Backbone interact. energy: -0.930
local terms energy: -243.503920
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -44.235
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -778.880335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.880335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.880335 (E_RNA)
where:
Base-Base interactions energy: -537.133
where: short stacking energy: -238.223
Base-Backbone interact. energy: -0.314
local terms energy: -241.433700
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -66.993
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: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -795.179088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.179088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.179088 (E_RNA)
where:
Base-Base interactions energy: -556.351
where: short stacking energy: -238.752
Base-Backbone interact. energy: -0.423
local terms energy: -238.404260
where:
bonds (distance) C4'-P energy: -45.214
bonds (distance) P-C4' energy: -49.626
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -654.791823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.791823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.791823 (E_RNA)
where:
Base-Base interactions energy: -430.771
where: short stacking energy: -192.034
Base-Backbone interact. energy: -0.967
local terms energy: -223.053379
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: -50.700
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: 363
Temperature: 1.300000
Total energy: -334.861322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.861322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.861322 (E_RNA)
where:
Base-Base interactions energy: -169.470
where: short stacking energy: -100.877
Base-Backbone interact. energy: -0.883
local terms energy: -164.507976
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -28.825
tors. eta vs tors. theta energy: -14.003
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -219.773967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.773967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.773967 (E_RNA)
where:
Base-Base interactions energy: -77.530
where: short stacking energy: -75.614
Base-Backbone interact. energy: 0.031
local terms energy: -142.275292
where:
bonds (distance) C4'-P energy: -40.932
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -35.404
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -965.536830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.536830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.536830 (E_RNA)
where:
Base-Base interactions energy: -673.671
where: short stacking energy: -293.729
Base-Backbone interact. energy: -1.048
local terms energy: -290.818120
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -52.933
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: -85.544
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: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -940.503809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.503809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.503809 (E_RNA)
where:
Base-Base interactions energy: -657.583
where: short stacking energy: -288.549
Base-Backbone interact. energy: -0.195
local terms energy: -282.725915
where:
bonds (distance) C4'-P energy: -48.786
bonds (distance) P-C4' energy: -54.239
flat angles C4'-P-C4' energy: -55.574
flat angles P-C4'-P energy: -38.683
tors. eta vs tors. theta energy: -85.444
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -921.614054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.614054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.614054 (E_RNA)
where:
Base-Base interactions energy: -633.319
where: short stacking energy: -271.393
Base-Backbone interact. energy: -0.387
local terms energy: -287.908925
where:
bonds (distance) C4'-P energy: -53.198
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -41.690
tors. eta vs tors. theta energy: -82.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -868.804763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.804763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.804763 (E_RNA)
where:
Base-Base interactions energy: -611.100
where: short stacking energy: -261.859
Base-Backbone interact. energy: -0.417
local terms energy: -257.287841
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -74.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -813.349381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.349381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.349381 (E_RNA)
where:
Base-Base interactions energy: -561.001
where: short stacking energy: -249.611
Base-Backbone interact. energy: -0.332
local terms energy: -252.016278
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -68.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -794.885270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.885270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.885270 (E_RNA)
where:
Base-Base interactions energy: -539.484
where: short stacking energy: -238.909
Base-Backbone interact. energy: 0.510
local terms energy: -255.910409
where:
bonds (distance) C4'-P energy: -45.666
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -57.687
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -68.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -788.588481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.588481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.588481 (E_RNA)
where:
Base-Base interactions energy: -543.550
where: short stacking energy: -229.735
Base-Backbone interact. energy: 0.416
local terms energy: -245.454123
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -39.600
tors. eta vs tors. theta energy: -62.336
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -589.630517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.630517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.630517 (E_RNA)
where:
Base-Base interactions energy: -369.844
where: short stacking energy: -174.308
Base-Backbone interact. energy: 1.079
local terms energy: -220.865740
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -52.682
flat angles P-C4'-P energy: -34.933
tors. eta vs tors. theta energy: -42.371
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: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -297.103214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.103214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.103214 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -96.304
Base-Backbone interact. energy: 0.157
local terms energy: -151.402709
where:
bonds (distance) C4'-P energy: -55.007
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: 6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -234.179722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.179722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.179722 (E_RNA)
where:
Base-Base interactions energy: -64.961
where: short stacking energy: -63.994
Base-Backbone interact. energy: -1.886
local terms energy: -167.333327
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -50.227
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: 5.189
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: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -979.164992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.164992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.164992 (E_RNA)
where:
Base-Base interactions energy: -684.794
where: short stacking energy: -297.410
Base-Backbone interact. energy: 1.167
local terms energy: -295.537931
where:
bonds (distance) C4'-P energy: -55.532
bonds (distance) P-C4' energy: -54.988
flat angles C4'-P-C4' energy: -58.702
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -82.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -953.761691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.761691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.761691 (E_RNA)
where:
Base-Base interactions energy: -650.084
where: short stacking energy: -284.893
Base-Backbone interact. energy: 4.287
local terms energy: -307.963903
where:
bonds (distance) C4'-P energy: -58.101
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -63.032
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -89.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -904.025727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.025727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.025727 (E_RNA)
where:
Base-Base interactions energy: -639.649
where: short stacking energy: -274.380
Base-Backbone interact. energy: -1.357
local terms energy: -263.020087
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -46.152
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -79.243
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: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -884.101712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.101712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.101712 (E_RNA)
where:
Base-Base interactions energy: -607.745
where: short stacking energy: -270.404
Base-Backbone interact. energy: 1.243
local terms energy: -277.599516
where:
bonds (distance) C4'-P energy: -50.332
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -84.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -809.536534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.536534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.536534 (E_RNA)
where:
Base-Base interactions energy: -546.846
where: short stacking energy: -219.954
Base-Backbone interact. energy: -1.421
local terms energy: -261.269794
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -50.870
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -70.035
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: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -822.738896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.738896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.738896 (E_RNA)
where:
Base-Base interactions energy: -571.343
where: short stacking energy: -250.530
Base-Backbone interact. energy: -1.133
local terms energy: -250.262724
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -75.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -764.859666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.859666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.859666 (E_RNA)
where:
Base-Base interactions energy: -529.587
where: short stacking energy: -223.452
Base-Backbone interact. energy: -0.463
local terms energy: -234.809972
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -63.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -603.985930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.985930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.985930 (E_RNA)
where:
Base-Base interactions energy: -390.358
where: short stacking energy: -174.956
Base-Backbone interact. energy: 0.775
local terms energy: -214.403035
where:
bonds (distance) C4'-P energy: -41.448
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -50.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -336.586078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.586078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.586078 (E_RNA)
where:
Base-Base interactions energy: -173.659
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.943
local terms energy: -161.984364
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -39.899
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -226.494745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.494745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.494745 (E_RNA)
where:
Base-Base interactions energy: -85.194
where: short stacking energy: -61.086
Base-Backbone interact. energy: 2.121
local terms energy: -143.421549
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -43.037
flat angles C4'-P-C4' energy: -43.310
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: 7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -960.570313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.570313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.570313 (E_RNA)
where:
Base-Base interactions energy: -667.736
where: short stacking energy: -286.757
Base-Backbone interact. energy: -1.044
local terms energy: -291.790757
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -62.835
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -81.593
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: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -953.504495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.504495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.504495 (E_RNA)
where:
Base-Base interactions energy: -652.893
where: short stacking energy: -293.768
Base-Backbone interact. energy: -0.963
local terms energy: -299.648389
where:
bonds (distance) C4'-P energy: -47.835
bonds (distance) P-C4' energy: -54.239
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -45.973
tors. eta vs tors. theta energy: -87.856
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: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -924.252199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.252199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.252199 (E_RNA)
where:
Base-Base interactions energy: -647.100
where: short stacking energy: -270.296
Base-Backbone interact. energy: -1.128
local terms energy: -276.024121
where:
bonds (distance) C4'-P energy: -40.487
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -63.212
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -81.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -864.153659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.153659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.153659 (E_RNA)
where:
Base-Base interactions energy: -607.964
where: short stacking energy: -264.044
Base-Backbone interact. energy: -0.003
local terms energy: -256.187509
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -73.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -836.660416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.660416 (E_RNA)
where:
Base-Base interactions energy: -573.730
where: short stacking energy: -251.100
Base-Backbone interact. energy: -0.343
local terms energy: -262.588368
where:
bonds (distance) C4'-P energy: -47.353
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -30.094
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -781.846614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.846614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.846614 (E_RNA)
where:
Base-Base interactions energy: -536.161
where: short stacking energy: -226.509
Base-Backbone interact. energy: 0.651
local terms energy: -246.336380
where:
bonds (distance) C4'-P energy: -46.627
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -54.986
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -63.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -746.822781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.822781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.822781 (E_RNA)
where:
Base-Base interactions energy: -516.829
where: short stacking energy: -222.741
Base-Backbone interact. energy: -0.605
local terms energy: -229.389104
where:
bonds (distance) C4'-P energy: -46.968
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -58.263
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -590.936315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.936315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.936315 (E_RNA)
where:
Base-Base interactions energy: -387.430
where: short stacking energy: -190.596
Base-Backbone interact. energy: -0.191
local terms energy: -203.315279
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -37.015
tors. eta vs tors. theta energy: -42.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -249.095223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.095223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.095223 (E_RNA)
where:
Base-Base interactions energy: -89.713
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.774
local terms energy: -158.608939
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -40.706
flat angles C4'-P-C4' energy: -48.246
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -264.107554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.107554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.107554 (E_RNA)
where:
Base-Base interactions energy: -121.433
where: short stacking energy: -64.915
Base-Backbone interact. energy: 2.881
local terms energy: -145.555541
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -47.697
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: 3.364
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: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -966.176467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.176467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.176467 (E_RNA)
where:
Base-Base interactions energy: -673.341
where: short stacking energy: -288.331
Base-Backbone interact. energy: -1.835
local terms energy: -291.000722
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -60.533
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -82.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -940.628871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.628871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.628871 (E_RNA)
where:
Base-Base interactions energy: -660.010
where: short stacking energy: -290.638
Base-Backbone interact. energy: -0.709
local terms energy: -279.910230
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -59.648
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -88.390
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: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -904.517784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.517784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.517784 (E_RNA)
where:
Base-Base interactions energy: -631.080
where: short stacking energy: -257.794
Base-Backbone interact. energy: -1.319
local terms energy: -272.118085
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -78.672
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: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -850.055653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.055653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.055653 (E_RNA)
where:
Base-Base interactions energy: -586.048
where: short stacking energy: -258.403
Base-Backbone interact. energy: 1.179
local terms energy: -265.186539
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -77.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -842.180000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.180000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.180000 (E_RNA)
where:
Base-Base interactions energy: -574.846
where: short stacking energy: -260.252
Base-Backbone interact. energy: -0.112
local terms energy: -267.222160
where:
bonds (distance) C4'-P energy: -45.449
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -37.223
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: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -774.519618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.519618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.519618 (E_RNA)
where:
Base-Base interactions energy: -520.416
where: short stacking energy: -236.840
Base-Backbone interact. energy: -0.207
local terms energy: -253.896630
where:
bonds (distance) C4'-P energy: -52.205
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -66.980
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -750.379735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.379735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.379735 (E_RNA)
where:
Base-Base interactions energy: -507.337
where: short stacking energy: -219.377
Base-Backbone interact. energy: 5.816
local terms energy: -248.858432
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -44.875
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -37.081
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: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -589.825082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.825082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.825082 (E_RNA)
where:
Base-Base interactions energy: -395.976
where: short stacking energy: -181.408
Base-Backbone interact. energy: -0.413
local terms energy: -193.435415
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -40.165
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -245.614616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.614616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.614616 (E_RNA)
where:
Base-Base interactions energy: -103.994
where: short stacking energy: -91.088
Base-Backbone interact. energy: 2.663
local terms energy: -144.283825
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -20.371
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: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -229.133734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.133734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.133734 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.366
local terms energy: -135.431665
where:
bonds (distance) C4'-P energy: -40.117
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -962.421130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.421130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.421130 (E_RNA)
where:
Base-Base interactions energy: -675.904
where: short stacking energy: -292.424
Base-Backbone interact. energy: 0.144
local terms energy: -286.660686
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -42.700
tors. eta vs tors. theta energy: -82.834
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: 368
Temperature: 0.950000
Total energy: -924.721704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.721704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.721704 (E_RNA)
where:
Base-Base interactions energy: -638.987
where: short stacking energy: -281.118
Base-Backbone interact. energy: -1.951
local terms energy: -283.784401
where:
bonds (distance) C4'-P energy: -53.142
bonds (distance) P-C4' energy: -51.791
flat angles C4'-P-C4' energy: -52.925
flat angles P-C4'-P energy: -42.124
tors. eta vs tors. theta energy: -83.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -906.897498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.897498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.897498 (E_RNA)
where:
Base-Base interactions energy: -617.554
where: short stacking energy: -268.633
Base-Backbone interact. energy: 0.518
local terms energy: -289.861864
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -43.084
tors. eta vs tors. theta energy: -87.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -874.522044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.522044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.522044 (E_RNA)
where:
Base-Base interactions energy: -604.212
where: short stacking energy: -268.654
Base-Backbone interact. energy: -0.129
local terms energy: -270.180831
where:
bonds (distance) C4'-P energy: -48.934
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -54.404
flat angles P-C4'-P energy: -39.724
tors. eta vs tors. theta energy: -79.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -827.904896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.904896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.904896 (E_RNA)
where:
Base-Base interactions energy: -571.078
where: short stacking energy: -233.290
Base-Backbone interact. energy: -0.623
local terms energy: -256.203465
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -51.152
flat angles C4'-P-C4' energy: -56.067
flat angles P-C4'-P energy: -40.138
tors. eta vs tors. theta energy: -66.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -811.503382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.503382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.503382 (E_RNA)
where:
Base-Base interactions energy: -565.776
where: short stacking energy: -257.252
Base-Backbone interact. energy: 0.616
local terms energy: -246.343164
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -41.666
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -73.667
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: 368
Temperature: 1.200000
Total energy: -745.448318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.448318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.448318 (E_RNA)
where:
Base-Base interactions energy: -503.798
where: short stacking energy: -208.192
Base-Backbone interact. energy: -1.002
local terms energy: -240.648198
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -50.589
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -58.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -643.747034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.747034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.747034 (E_RNA)
where:
Base-Base interactions energy: -427.153
where: short stacking energy: -191.842
Base-Backbone interact. energy: 0.261
local terms energy: -216.855359
where:
bonds (distance) C4'-P energy: -49.653
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -45.266
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -52.907
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: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -244.365270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.365270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.365270 (E_RNA)
where:
Base-Base interactions energy: -100.421
where: short stacking energy: -92.347
Base-Backbone interact. energy: -1.663
local terms energy: -142.280936
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -226.224449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.224449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.224449 (E_RNA)
where:
Base-Base interactions energy: -75.929
where: short stacking energy: -62.248
Base-Backbone interact. energy: -1.012
local terms energy: -149.283664
where:
bonds (distance) C4'-P energy: -48.111
bonds (distance) P-C4' energy: -45.886
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: 4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -979.135023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.135023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.135023 (E_RNA)
where:
Base-Base interactions energy: -678.258
where: short stacking energy: -293.274
Base-Backbone interact. energy: 0.343
local terms energy: -301.220269
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -59.874
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -90.011
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: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -931.145679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.145679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.145679 (E_RNA)
where:
Base-Base interactions energy: -650.840
where: short stacking energy: -279.062
Base-Backbone interact. energy: -0.942
local terms energy: -279.364004
where:
bonds (distance) C4'-P energy: -46.334
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -52.585
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: -83.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -901.918192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.918192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.918192 (E_RNA)
where:
Base-Base interactions energy: -614.404
where: short stacking energy: -269.624
Base-Backbone interact. energy: -0.278
local terms energy: -287.236055
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -56.622
flat angles C4'-P-C4' energy: -55.740
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -74.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -857.506069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.506069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.506069 (E_RNA)
where:
Base-Base interactions energy: -594.741
where: short stacking energy: -252.718
Base-Backbone interact. energy: 0.182
local terms energy: -262.947165
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: -73.079
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: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -825.083046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.083046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.083046 (E_RNA)
where:
Base-Base interactions energy: -571.159
where: short stacking energy: -242.596
Base-Backbone interact. energy: -1.561
local terms energy: -252.362747
where:
bonds (distance) C4'-P energy: -44.568
bonds (distance) P-C4' energy: -56.401
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -64.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -813.923332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.923332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.923332 (E_RNA)
where:
Base-Base interactions energy: -562.564
where: short stacking energy: -242.312
Base-Backbone interact. energy: -0.535
local terms energy: -250.824786
where:
bonds (distance) C4'-P energy: -45.616
bonds (distance) P-C4' energy: -53.730
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -67.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -762.394716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.394716 (E_RNA)
where:
Base-Base interactions energy: -533.986
where: short stacking energy: -225.927
Base-Backbone interact. energy: -0.431
local terms energy: -227.977238
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -50.820
flat angles C4'-P-C4' energy: -49.481
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -63.342
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -620.047624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.047624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.047624 (E_RNA)
where:
Base-Base interactions energy: -406.158
where: short stacking energy: -183.941
Base-Backbone interact. energy: -1.131
local terms energy: -212.758205
where:
bonds (distance) C4'-P energy: -47.911
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -47.846
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -45.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -286.794567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.794567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.794567 (E_RNA)
where:
Base-Base interactions energy: -133.027
where: short stacking energy: -79.310
Base-Backbone interact. energy: -0.723
local terms energy: -153.044224
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -222.683923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.683923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.683923 (E_RNA)
where:
Base-Base interactions energy: -82.057
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.193
local terms energy: -140.433823
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -33.489
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: 5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -962.611047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.611047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.611047 (E_RNA)
where:
Base-Base interactions energy: -666.439
where: short stacking energy: -294.864
Base-Backbone interact. energy: 0.195
local terms energy: -296.367158
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -48.824
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -90.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -965.321594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.321594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.321594 (E_RNA)
where:
Base-Base interactions energy: -666.085
where: short stacking energy: -285.508
Base-Backbone interact. energy: -1.450
local terms energy: -297.786615
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -88.993
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: 370
Temperature: 1.000000
Total energy: -908.041127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.041127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.041127 (E_RNA)
where:
Base-Base interactions energy: -623.321
where: short stacking energy: -259.566
Base-Backbone interact. energy: -0.283
local terms energy: -284.437546
where:
bonds (distance) C4'-P energy: -50.671
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -59.467
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -77.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -843.237784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.237784 (E_RNA)
where:
Base-Base interactions energy: -566.980
where: short stacking energy: -251.970
Base-Backbone interact. energy: -0.812
local terms energy: -275.445774
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -59.716
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -79.227
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: 370
Temperature: 1.100000
Total energy: -841.626868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.626868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.626868 (E_RNA)
where:
Base-Base interactions energy: -586.373
where: short stacking energy: -252.313
Base-Backbone interact. energy: -0.247
local terms energy: -255.006929
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -71.233
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: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -816.740336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.740336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.740336 (E_RNA)
where:
Base-Base interactions energy: -554.269
where: short stacking energy: -231.562
Base-Backbone interact. energy: -0.462
local terms energy: -262.009479
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -55.094
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -70.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -765.023376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.023376 (E_RNA)
where:
Base-Base interactions energy: -523.207
where: short stacking energy: -225.484
Base-Backbone interact. energy: -1.709
local terms energy: -240.107019
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -44.872
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -61.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -599.915255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.915255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.915255 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -176.726
Base-Backbone interact. energy: -1.956
local terms energy: -208.736415
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -45.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -314.179316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.179316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.179316 (E_RNA)
where:
Base-Base interactions energy: -152.409
where: short stacking energy: -98.488
Base-Backbone interact. energy: 2.732
local terms energy: -164.502307
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -219.545284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.545284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.545284 (E_RNA)
where:
Base-Base interactions energy: -69.288
where: short stacking energy: -51.438
Base-Backbone interact. energy: 0.951
local terms energy: -151.208051
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: 8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -974.293362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.293362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.293362 (E_RNA)
where:
Base-Base interactions energy: -668.376
where: short stacking energy: -300.959
Base-Backbone interact. energy: -0.943
local terms energy: -304.974012
where:
bonds (distance) C4'-P energy: -45.636
bonds (distance) P-C4' energy: -60.469
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -88.429
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: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -950.968018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.968018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.968018 (E_RNA)
where:
Base-Base interactions energy: -664.652
where: short stacking energy: -285.465
Base-Backbone interact. energy: -0.984
local terms energy: -285.332648
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -82.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -912.394831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.394831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.394831 (E_RNA)
where:
Base-Base interactions energy: -639.782
where: short stacking energy: -259.500
Base-Backbone interact. energy: -0.780
local terms energy: -271.832181
where:
bonds (distance) C4'-P energy: -48.556
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -46.825
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: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -865.264770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.264770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.264770 (E_RNA)
where:
Base-Base interactions energy: -604.132
where: short stacking energy: -266.685
Base-Backbone interact. energy: 2.488
local terms energy: -263.621163
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -73.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -815.945854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.945854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.945854 (E_RNA)
where:
Base-Base interactions energy: -548.338
where: short stacking energy: -225.045
Base-Backbone interact. energy: -0.539
local terms energy: -267.068578
where:
bonds (distance) C4'-P energy: -55.274
bonds (distance) P-C4' energy: -57.211
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -64.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -803.341803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.341803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.341803 (E_RNA)
where:
Base-Base interactions energy: -556.723
where: short stacking energy: -238.756
Base-Backbone interact. energy: -1.036
local terms energy: -245.582725
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -66.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -780.238805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.238805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.238805 (E_RNA)
where:
Base-Base interactions energy: -530.589
where: short stacking energy: -211.096
Base-Backbone interact. energy: -0.019
local terms energy: -249.630557
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -71.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -622.577405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.577405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.577405 (E_RNA)
where:
Base-Base interactions energy: -405.073
where: short stacking energy: -190.909
Base-Backbone interact. energy: -0.929
local terms energy: -216.576122
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -46.949
flat angles C4'-P-C4' energy: -45.714
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -44.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -278.514946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.514946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.514946 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -80.209
Base-Backbone interact. energy: -1.550
local terms energy: -146.320545
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -41.575
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -2.516
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: 371
Temperature: 1.350000
Total energy: -231.579182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.579182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.579182 (E_RNA)
where:
Base-Base interactions energy: -87.170
where: short stacking energy: -69.045
Base-Backbone interact. energy: 0.959
local terms energy: -145.368068
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -44.335
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -962.713437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.713437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.713437 (E_RNA)
where:
Base-Base interactions energy: -666.481
where: short stacking energy: -294.496
Base-Backbone interact. energy: -0.640
local terms energy: -295.592805
where:
bonds (distance) C4'-P energy: -59.816
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -85.150
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: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -941.242729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.242729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.242729 (E_RNA)
where:
Base-Base interactions energy: -654.854
where: short stacking energy: -270.991
Base-Backbone interact. energy: -1.483
local terms energy: -284.905288
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -56.998
flat angles C4'-P-C4' energy: -53.718
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -77.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -920.206521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.206521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.206521 (E_RNA)
where:
Base-Base interactions energy: -642.204
where: short stacking energy: -264.525
Base-Backbone interact. energy: -0.960
local terms energy: -277.042570
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -52.043
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -80.942
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: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -866.664864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.664864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.664864 (E_RNA)
where:
Base-Base interactions energy: -604.394
where: short stacking energy: -256.866
Base-Backbone interact. energy: -0.559
local terms energy: -261.711422
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -49.162
flat angles C4'-P-C4' energy: -54.024
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -67.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -828.846573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.846573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.846573 (E_RNA)
where:
Base-Base interactions energy: -561.022
where: short stacking energy: -230.137
Base-Backbone interact. energy: -0.251
local terms energy: -267.574265
where:
bonds (distance) C4'-P energy: -54.186
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -55.568
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -70.018
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: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -839.699143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.699143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.699143 (E_RNA)
where:
Base-Base interactions energy: -613.603
where: short stacking energy: -253.828
Base-Backbone interact. energy: 3.125
local terms energy: -229.220997
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -71.535
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: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -787.288866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.288866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.288866 (E_RNA)
where:
Base-Base interactions energy: -551.299
where: short stacking energy: -233.777
Base-Backbone interact. energy: -1.063
local terms energy: -234.927508
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -50.049
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -66.042
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -601.442007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.442007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.442007 (E_RNA)
where:
Base-Base interactions energy: -383.865
where: short stacking energy: -161.623
Base-Backbone interact. energy: 1.019
local terms energy: -218.595568
where:
bonds (distance) C4'-P energy: -43.527
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -52.029
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -229.710876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.710876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.710876 (E_RNA)
where:
Base-Base interactions energy: -90.770
where: short stacking energy: -70.379
Base-Backbone interact. energy: 1.393
local terms energy: -140.333546
where:
bonds (distance) C4'-P energy: -40.181
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: 9.732
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: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -274.285517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.285517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.285517 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -84.383
Base-Backbone interact. energy: -1.977
local terms energy: -141.872620
where:
bonds (distance) C4'-P energy: -36.893
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -36.570
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -975.639629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.639629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.639629 (E_RNA)
where:
Base-Base interactions energy: -675.486
where: short stacking energy: -290.237
Base-Backbone interact. energy: -1.297
local terms energy: -298.856018
where:
bonds (distance) C4'-P energy: -53.042
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -59.838
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -87.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -940.777535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.777535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.777535 (E_RNA)
where:
Base-Base interactions energy: -646.250
where: short stacking energy: -283.118
Base-Backbone interact. energy: -1.376
local terms energy: -293.151776
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -87.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -934.688432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.688432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.688432 (E_RNA)
where:
Base-Base interactions energy: -653.466
where: short stacking energy: -275.977
Base-Backbone interact. energy: -1.436
local terms energy: -279.786810
where:
bonds (distance) C4'-P energy: -46.034
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -82.538
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -881.650310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.650310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.650310 (E_RNA)
where:
Base-Base interactions energy: -599.485
where: short stacking energy: -247.062
Base-Backbone interact. energy: -0.502
local terms energy: -281.662816
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -81.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -829.590923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.590923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.590923 (E_RNA)
where:
Base-Base interactions energy: -574.791
where: short stacking energy: -230.357
Base-Backbone interact. energy: -0.759
local terms energy: -254.041351
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -48.253
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -67.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -814.859605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.859605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.859605 (E_RNA)
where:
Base-Base interactions energy: -558.330
where: short stacking energy: -230.869
Base-Backbone interact. energy: -1.033
local terms energy: -255.496942
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -49.876
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -32.226
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -778.134515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.134515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.134515 (E_RNA)
where:
Base-Base interactions energy: -541.366
where: short stacking energy: -234.828
Base-Backbone interact. energy: -0.558
local terms energy: -236.209842
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -51.606
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -60.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -562.517872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.517872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.517872 (E_RNA)
where:
Base-Base interactions energy: -353.175
where: short stacking energy: -164.307
Base-Backbone interact. energy: -0.300
local terms energy: -209.042480
where:
bonds (distance) C4'-P energy: -45.856
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -35.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -246.626964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.626964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.626964 (E_RNA)
where:
Base-Base interactions energy: -84.475
where: short stacking energy: -73.335
Base-Backbone interact. energy: 2.485
local terms energy: -164.637588
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -26.449
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -279.659735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.659735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.659735 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -78.517
Base-Backbone interact. energy: 2.081
local terms energy: -137.634699
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -968.318693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.318693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.318693 (E_RNA)
where:
Base-Base interactions energy: -668.906
where: short stacking energy: -295.142
Base-Backbone interact. energy: 0.816
local terms energy: -300.228939
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -62.247
flat angles P-C4'-P energy: -43.795
tors. eta vs tors. theta energy: -90.785
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: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -936.916521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.916521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.916521 (E_RNA)
where:
Base-Base interactions energy: -649.003
where: short stacking energy: -286.287
Base-Backbone interact. energy: -1.962
local terms energy: -285.952168
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -60.603
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -85.318
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: 374
Temperature: 1.000000
Total energy: -913.964452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.964452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.964452 (E_RNA)
where:
Base-Base interactions energy: -633.251
where: short stacking energy: -278.416
Base-Backbone interact. energy: -0.870
local terms energy: -279.844229
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -84.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -875.603667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.603667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.603667 (E_RNA)
where:
Base-Base interactions energy: -600.714
where: short stacking energy: -260.997
Base-Backbone interact. energy: -0.076
local terms energy: -274.814071
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -43.639
tors. eta vs tors. theta energy: -74.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -842.636933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.636933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.636933 (E_RNA)
where:
Base-Base interactions energy: -588.819
where: short stacking energy: -250.821
Base-Backbone interact. energy: -0.989
local terms energy: -252.828860
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -40.421
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -65.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -840.918030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.918030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.918030 (E_RNA)
where:
Base-Base interactions energy: -574.950
where: short stacking energy: -249.941
Base-Backbone interact. energy: -0.906
local terms energy: -265.061621
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -42.537
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: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -780.340347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.340347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.340347 (E_RNA)
where:
Base-Base interactions energy: -534.405
where: short stacking energy: -232.787
Base-Backbone interact. energy: 0.076
local terms energy: -246.010759
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -48.094
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -60.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -625.445211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.445211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.445211 (E_RNA)
where:
Base-Base interactions energy: -416.492
where: short stacking energy: -173.554
Base-Backbone interact. energy: -0.461
local terms energy: -208.492069
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -43.480
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -36.894
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -321.882848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.882848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.882848 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -88.558
Base-Backbone interact. energy: -1.334
local terms energy: -156.097438
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -19.948
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: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -221.666352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.666352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.666352 (E_RNA)
where:
Base-Base interactions energy: -75.781
where: short stacking energy: -61.564
Base-Backbone interact. energy: 0.901
local terms energy: -146.786370
where:
bonds (distance) C4'-P energy: -53.323
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -26.978
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: 2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -965.599858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.599858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.599858 (E_RNA)
where:
Base-Base interactions energy: -666.712
where: short stacking energy: -300.170
Base-Backbone interact. energy: -1.319
local terms energy: -297.568715
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -90.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -958.898950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.898950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.898950 (E_RNA)
where:
Base-Base interactions energy: -658.030
where: short stacking energy: -299.681
Base-Backbone interact. energy: -0.733
local terms energy: -300.135605
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -49.557
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -88.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -889.358945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.358945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.358945 (E_RNA)
where:
Base-Base interactions energy: -624.432
where: short stacking energy: -256.733
Base-Backbone interact. energy: -0.643
local terms energy: -264.284059
where:
bonds (distance) C4'-P energy: -50.329
bonds (distance) P-C4' energy: -56.088
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -31.963
tors. eta vs tors. theta energy: -72.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -875.192859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.192859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.192859 (E_RNA)
where:
Base-Base interactions energy: -607.918
where: short stacking energy: -255.269
Base-Backbone interact. energy: -1.090
local terms energy: -266.184454
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -40.783
tors. eta vs tors. theta energy: -77.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -835.966229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.966229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.966229 (E_RNA)
where:
Base-Base interactions energy: -580.659
where: short stacking energy: -241.694
Base-Backbone interact. energy: -1.321
local terms energy: -253.986580
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -39.108
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -835.427006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.427006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.427006 (E_RNA)
where:
Base-Base interactions energy: -578.514
where: short stacking energy: -258.177
Base-Backbone interact. energy: -1.356
local terms energy: -255.557484
where:
bonds (distance) C4'-P energy: -48.652
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -73.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -787.896795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.896795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.896795 (E_RNA)
where:
Base-Base interactions energy: -532.861
where: short stacking energy: -223.836
Base-Backbone interact. energy: -0.793
local terms energy: -254.243428
where:
bonds (distance) C4'-P energy: -46.991
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -38.293
tors. eta vs tors. theta energy: -61.675
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -673.440079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.440079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.440079 (E_RNA)
where:
Base-Base interactions energy: -452.660
where: short stacking energy: -206.564
Base-Backbone interact. energy: 1.317
local terms energy: -222.097043
where:
bonds (distance) C4'-P energy: -39.941
bonds (distance) P-C4' energy: -41.136
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -378.892812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.892812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.892812 (E_RNA)
where:
Base-Base interactions energy: -205.989
where: short stacking energy: -121.229
Base-Backbone interact. energy: -0.808
local terms energy: -172.095814
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -42.687
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -17.531
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: 375
Temperature: 1.350000
Total energy: -231.694901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.694901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.694901 (E_RNA)
where:
Base-Base interactions energy: -76.299
where: short stacking energy: -67.619
Base-Backbone interact. energy: -1.025
local terms energy: -154.370511
where:
bonds (distance) C4'-P energy: -51.791
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: 2.206
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: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -962.416909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.416909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.416909 (E_RNA)
where:
Base-Base interactions energy: -671.391
where: short stacking energy: -289.387
Base-Backbone interact. energy: -2.113
local terms energy: -288.912183
where:
bonds (distance) C4'-P energy: -48.887
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -954.986397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.986397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.986397 (E_RNA)
where:
Base-Base interactions energy: -669.153
where: short stacking energy: -287.474
Base-Backbone interact. energy: -1.289
local terms energy: -284.544249
where:
bonds (distance) C4'-P energy: -47.735
bonds (distance) P-C4' energy: -45.970
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -45.387
tors. eta vs tors. theta energy: -89.350
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: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -888.877732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.877732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.877732 (E_RNA)
where:
Base-Base interactions energy: -614.547
where: short stacking energy: -261.437
Base-Backbone interact. energy: -1.443
local terms energy: -272.887405
where:
bonds (distance) C4'-P energy: -52.944
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -81.300
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -893.758846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.758846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.758846 (E_RNA)
where:
Base-Base interactions energy: -620.288
where: short stacking energy: -261.365
Base-Backbone interact. energy: -2.069
local terms energy: -271.401160
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -60.580
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -78.414
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -845.707322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.707322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.707322 (E_RNA)
where:
Base-Base interactions energy: -568.616
where: short stacking energy: -236.180
Base-Backbone interact. energy: -1.290
local terms energy: -275.800453
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -70.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -823.028119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.028119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.028119 (E_RNA)
where:
Base-Base interactions energy: -572.041
where: short stacking energy: -247.831
Base-Backbone interact. energy: 0.008
local terms energy: -250.994545
where:
bonds (distance) C4'-P energy: -37.945
bonds (distance) P-C4' energy: -55.541
flat angles C4'-P-C4' energy: -51.664
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -66.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -780.266915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.266915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.266915 (E_RNA)
where:
Base-Base interactions energy: -547.655
where: short stacking energy: -231.153
Base-Backbone interact. energy: -0.777
local terms energy: -231.834883
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -69.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -665.918358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.918358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.918358 (E_RNA)
where:
Base-Base interactions energy: -440.109
where: short stacking energy: -198.981
Base-Backbone interact. energy: 0.525
local terms energy: -226.333753
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -45.696
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -53.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -392.129432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.129432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.129432 (E_RNA)
where:
Base-Base interactions energy: -219.199
where: short stacking energy: -103.340
Base-Backbone interact. energy: 0.678
local terms energy: -173.608919
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -45.242
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -235.971973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.971973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.971973 (E_RNA)
where:
Base-Base interactions energy: -94.516
where: short stacking energy: -65.847
Base-Backbone interact. energy: 0.721
local terms energy: -142.177493
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -39.748
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: 7.441
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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -959.360697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.360697 (E_RNA)
where:
Base-Base interactions energy: -660.607
where: short stacking energy: -277.088
Base-Backbone interact. energy: -2.217
local terms energy: -296.536659
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -49.088
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -87.714
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -939.684044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.684044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.684044 (E_RNA)
where:
Base-Base interactions energy: -636.436
where: short stacking energy: -274.102
Base-Backbone interact. energy: -1.040
local terms energy: -302.208420
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -56.870
flat angles C4'-P-C4' energy: -63.033
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -83.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -892.998583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.998583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.998583 (E_RNA)
where:
Base-Base interactions energy: -618.807
where: short stacking energy: -256.021
Base-Backbone interact. energy: 2.302
local terms energy: -276.493395
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -72.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -872.568616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.568616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.568616 (E_RNA)
where:
Base-Base interactions energy: -609.923
where: short stacking energy: -244.645
Base-Backbone interact. energy: -0.248
local terms energy: -262.396894
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -51.661
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -73.592
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: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -832.443196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.443196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.443196 (E_RNA)
where:
Base-Base interactions energy: -569.749
where: short stacking energy: -234.999
Base-Backbone interact. energy: -0.637
local terms energy: -262.056505
where:
bonds (distance) C4'-P energy: -47.570
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -56.470
flat angles P-C4'-P energy: -44.418
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: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -816.569763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.569763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.569763 (E_RNA)
where:
Base-Base interactions energy: -565.629
where: short stacking energy: -242.431
Base-Backbone interact. energy: -1.770
local terms energy: -249.171066
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: -69.012
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: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -801.172149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.172149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.172149 (E_RNA)
where:
Base-Base interactions energy: -546.700
where: short stacking energy: -238.316
Base-Backbone interact. energy: 0.589
local terms energy: -255.061197
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -51.400
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -71.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -677.312741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.312741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.312741 (E_RNA)
where:
Base-Base interactions energy: -455.716
where: short stacking energy: -211.659
Base-Backbone interact. energy: -0.337
local terms energy: -221.259935
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -50.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -418.757455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.757455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.757455 (E_RNA)
where:
Base-Base interactions energy: -237.383
where: short stacking energy: -101.320
Base-Backbone interact. energy: 0.737
local terms energy: -182.111886
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -216.696403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696403 (E_RNA)
where:
Base-Base interactions energy: -63.374
where: short stacking energy: -50.295
Base-Backbone interact. energy: 4.248
local terms energy: -157.570832
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -42.181
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: 9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -951.170408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.170408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.170408 (E_RNA)
where:
Base-Base interactions energy: -651.282
where: short stacking energy: -282.340
Base-Backbone interact. energy: -1.291
local terms energy: -298.598141
where:
bonds (distance) C4'-P energy: -64.564
bonds (distance) P-C4' energy: -53.457
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -38.738
tors. eta vs tors. theta energy: -83.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -943.304485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.304485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.304485 (E_RNA)
where:
Base-Base interactions energy: -645.866
where: short stacking energy: -275.152
Base-Backbone interact. energy: -1.027
local terms energy: -296.411897
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -56.240
flat angles C4'-P-C4' energy: -67.623
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -81.155
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -904.848161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.848161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.848161 (E_RNA)
where:
Base-Base interactions energy: -620.156
where: short stacking energy: -241.537
Base-Backbone interact. energy: -1.245
local terms energy: -283.446588
where:
bonds (distance) C4'-P energy: -52.795
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -76.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -864.602275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.602275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.602275 (E_RNA)
where:
Base-Base interactions energy: -594.648
where: short stacking energy: -260.566
Base-Backbone interact. energy: -0.163
local terms energy: -269.791325
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -54.708
flat angles P-C4'-P energy: -33.685
tors. eta vs tors. theta energy: -79.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -825.115163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.115163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.115163 (E_RNA)
where:
Base-Base interactions energy: -577.546
where: short stacking energy: -255.222
Base-Backbone interact. energy: -0.544
local terms energy: -247.025882
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -49.377
flat angles C4'-P-C4' energy: -56.052
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -73.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -781.183128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.183128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.183128 (E_RNA)
where:
Base-Base interactions energy: -540.869
where: short stacking energy: -232.731
Base-Backbone interact. energy: -0.345
local terms energy: -239.969308
where:
bonds (distance) C4'-P energy: -45.465
bonds (distance) P-C4' energy: -47.856
flat angles C4'-P-C4' energy: -52.550
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -60.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -815.023217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.023217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.023217 (E_RNA)
where:
Base-Base interactions energy: -548.125
where: short stacking energy: -240.630
Base-Backbone interact. energy: -0.463
local terms energy: -266.435029
where:
bonds (distance) C4'-P energy: -58.517
bonds (distance) P-C4' energy: -46.233
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -78.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -694.806795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.806795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.806795 (E_RNA)
where:
Base-Base interactions energy: -465.392
where: short stacking energy: -210.189
Base-Backbone interact. energy: 0.008
local terms energy: -229.422962
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -56.240
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -50.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -432.500993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.500993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.500993 (E_RNA)
where:
Base-Base interactions energy: -260.067
where: short stacking energy: -135.016
Base-Backbone interact. energy: -0.762
local terms energy: -171.671467
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -43.982
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -214.211806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.211806 (E_RNA)
where:
Base-Base interactions energy: -66.458
where: short stacking energy: -46.632
Base-Backbone interact. energy: -0.742
local terms energy: -147.011966
where:
bonds (distance) C4'-P energy: -46.442
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -34.766
tors. eta vs tors. theta energy: 4.744
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -940.584174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.584174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.584174 (E_RNA)
where:
Base-Base interactions energy: -654.548
where: short stacking energy: -284.045
Base-Backbone interact. energy: -0.904
local terms energy: -285.131380
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -56.538
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -84.364
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: 379
Temperature: 0.950000
Total energy: -951.236448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.236448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.236448 (E_RNA)
where:
Base-Base interactions energy: -649.066
where: short stacking energy: -283.911
Base-Backbone interact. energy: -1.098
local terms energy: -301.072867
where:
bonds (distance) C4'-P energy: -52.615
bonds (distance) P-C4' energy: -52.040
flat angles C4'-P-C4' energy: -63.564
flat angles P-C4'-P energy: -45.236
tors. eta vs tors. theta energy: -87.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -908.543860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.543860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.543860 (E_RNA)
where:
Base-Base interactions energy: -625.657
where: short stacking energy: -252.763
Base-Backbone interact. energy: -1.870
local terms energy: -281.017037
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -65.603
flat angles P-C4'-P energy: -39.076
tors. eta vs tors. theta energy: -79.757
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -843.381768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.381768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.381768 (E_RNA)
where:
Base-Base interactions energy: -579.862
where: short stacking energy: -244.192
Base-Backbone interact. energy: 0.147
local terms energy: -263.666825
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -58.389
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -68.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -848.592007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.592007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.592007 (E_RNA)
where:
Base-Base interactions energy: -590.977
where: short stacking energy: -234.942
Base-Backbone interact. energy: -1.220
local terms energy: -256.394813
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -50.373
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -65.762
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -837.613758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.613758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.613758 (E_RNA)
where:
Base-Base interactions energy: -576.561
where: short stacking energy: -253.456
Base-Backbone interact. energy: 0.229
local terms energy: -261.281625
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -49.750
flat angles C4'-P-C4' energy: -52.085
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -73.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -758.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.590548 (E_RNA)
where:
Base-Base interactions energy: -529.642
where: short stacking energy: -218.900
Base-Backbone interact. energy: 0.302
local terms energy: -229.251152
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -46.322
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -56.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -685.769348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.769348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.769348 (E_RNA)
where:
Base-Base interactions energy: -452.673
where: short stacking energy: -204.162
Base-Backbone interact. energy: -0.336
local terms energy: -232.759802
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -444.657015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.657015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.657015 (E_RNA)
where:
Base-Base interactions energy: -279.216
where: short stacking energy: -119.578
Base-Backbone interact. energy: 0.498
local terms energy: -165.939282
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -248.114329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.114329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.114329 (E_RNA)
where:
Base-Base interactions energy: -97.588
where: short stacking energy: -72.061
Base-Backbone interact. energy: -0.244
local terms energy: -150.282155
where:
bonds (distance) C4'-P energy: -46.342
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: 10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -961.389161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.389161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.389161 (E_RNA)
where:
Base-Base interactions energy: -661.819
where: short stacking energy: -287.817
Base-Backbone interact. energy: -1.358
local terms energy: -298.211622
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -85.373
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: 380
Temperature: 0.950000
Total energy: -931.273452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.273452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.273452 (E_RNA)
where:
Base-Base interactions energy: -654.381
where: short stacking energy: -270.895
Base-Backbone interact. energy: -0.236
local terms energy: -276.656243
where:
bonds (distance) C4'-P energy: -47.122
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -51.071
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -81.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -901.619561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.619561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.619561 (E_RNA)
where:
Base-Base interactions energy: -631.299
where: short stacking energy: -250.088
Base-Backbone interact. energy: 1.912
local terms energy: -272.232176
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -53.223
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -70.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -833.526352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.526352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.526352 (E_RNA)
where:
Base-Base interactions energy: -570.844
where: short stacking energy: -239.127
Base-Backbone interact. energy: 1.498
local terms energy: -264.179635
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -33.784
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: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -854.402895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.402895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.402895 (E_RNA)
where:
Base-Base interactions energy: -586.543
where: short stacking energy: -244.327
Base-Backbone interact. energy: 0.005
local terms energy: -267.865124
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -51.951
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -66.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -792.070462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.070462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.070462 (E_RNA)
where:
Base-Base interactions energy: -556.715
where: short stacking energy: -239.071
Base-Backbone interact. energy: 0.421
local terms energy: -235.775874
where:
bonds (distance) C4'-P energy: -38.272
bonds (distance) P-C4' energy: -48.972
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -67.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -761.849171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.849171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.849171 (E_RNA)
where:
Base-Base interactions energy: -510.755
where: short stacking energy: -210.376
Base-Backbone interact. energy: -1.581
local terms energy: -249.513152
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -54.218
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -61.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -700.846829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.846829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.846829 (E_RNA)
where:
Base-Base interactions energy: -462.320
where: short stacking energy: -185.155
Base-Backbone interact. energy: 0.194
local terms energy: -238.720550
where:
bonds (distance) C4'-P energy: -42.504
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -51.036
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -482.982764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.982764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.982764 (E_RNA)
where:
Base-Base interactions energy: -300.269
where: short stacking energy: -138.124
Base-Backbone interact. energy: 0.221
local terms energy: -182.935291
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -51.120
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -233.460321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.460321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.460321 (E_RNA)
where:
Base-Base interactions energy: -87.563
where: short stacking energy: -72.951
Base-Backbone interact. energy: 3.910
local terms energy: -149.807355
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -50.545
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: 7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -952.015867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.015867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.015867 (E_RNA)
where:
Base-Base interactions energy: -664.937
where: short stacking energy: -276.772
Base-Backbone interact. energy: -0.851
local terms energy: -286.228433
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -77.643
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: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -947.831319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.831319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.831319 (E_RNA)
where:
Base-Base interactions energy: -663.416
where: short stacking energy: -263.302
Base-Backbone interact. energy: -1.099
local terms energy: -283.316896
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -42.119
tors. eta vs tors. theta energy: -80.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -903.236468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.236468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.236468 (E_RNA)
where:
Base-Base interactions energy: -620.478
where: short stacking energy: -264.371
Base-Backbone interact. energy: -1.344
local terms energy: -281.414459
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -48.186
flat angles C4'-P-C4' energy: -60.658
flat angles P-C4'-P energy: -45.087
tors. eta vs tors. theta energy: -76.746
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -864.014278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.014278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.014278 (E_RNA)
where:
Base-Base interactions energy: -606.582
where: short stacking energy: -249.102
Base-Backbone interact. energy: -0.152
local terms energy: -257.280772
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -49.233
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -69.051
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: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -826.865885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.865885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.865885 (E_RNA)
where:
Base-Base interactions energy: -563.919
where: short stacking energy: -244.732
Base-Backbone interact. energy: -0.941
local terms energy: -262.006182
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -58.261
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -794.125185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.125185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.125185 (E_RNA)
where:
Base-Base interactions energy: -544.593
where: short stacking energy: -238.800
Base-Backbone interact. energy: -0.443
local terms energy: -249.089818
where:
bonds (distance) C4'-P energy: -41.409
bonds (distance) P-C4' energy: -47.636
flat angles C4'-P-C4' energy: -55.495
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -75.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -742.368054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.368054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.368054 (E_RNA)
where:
Base-Base interactions energy: -508.277
where: short stacking energy: -204.791
Base-Backbone interact. energy: -2.027
local terms energy: -232.064624
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -45.372
flat angles C4'-P-C4' energy: -52.426
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -53.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -665.864373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.864373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.864373 (E_RNA)
where:
Base-Base interactions energy: -449.405
where: short stacking energy: -205.179
Base-Backbone interact. energy: -0.447
local terms energy: -216.012120
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -47.043
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -55.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -549.608274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.608274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.608274 (E_RNA)
where:
Base-Base interactions energy: -359.645
where: short stacking energy: -157.256
Base-Backbone interact. energy: -0.945
local terms energy: -189.018463
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -50.419
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -254.003034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.003034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.003034 (E_RNA)
where:
Base-Base interactions energy: -104.193
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.835
local terms energy: -148.974646
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -43.332
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -15.567
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: 382
Temperature: 0.900000
Total energy: -946.134767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.134767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.134767 (E_RNA)
where:
Base-Base interactions energy: -647.745
where: short stacking energy: -265.337
Base-Backbone interact. energy: -2.440
local terms energy: -295.950103
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -60.948
flat angles C4'-P-C4' energy: -58.256
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -75.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -943.411857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.411857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.411857 (E_RNA)
where:
Base-Base interactions energy: -644.688
where: short stacking energy: -286.938
Base-Backbone interact. energy: -0.535
local terms energy: -298.188661
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -89.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -903.398847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.398847 (E_RNA)
where:
Base-Base interactions energy: -639.146
where: short stacking energy: -257.724
Base-Backbone interact. energy: -1.254
local terms energy: -262.998864
where:
bonds (distance) C4'-P energy: -47.794
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -35.776
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: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -884.775246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.775246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.775246 (E_RNA)
where:
Base-Base interactions energy: -626.370
where: short stacking energy: -260.887
Base-Backbone interact. energy: -0.190
local terms energy: -258.214696
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -42.496
flat angles C4'-P-C4' energy: -52.890
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -74.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -820.118858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.118858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.118858 (E_RNA)
where:
Base-Base interactions energy: -555.341
where: short stacking energy: -230.217
Base-Backbone interact. energy: -0.160
local terms energy: -264.617942
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -58.012
flat angles P-C4'-P energy: -37.182
tors. eta vs tors. theta energy: -67.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -796.891705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.891705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.891705 (E_RNA)
where:
Base-Base interactions energy: -537.549
where: short stacking energy: -226.297
Base-Backbone interact. energy: -0.300
local terms energy: -259.042867
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -52.740
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -62.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -758.147272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.147272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.147272 (E_RNA)
where:
Base-Base interactions energy: -529.698
where: short stacking energy: -219.545
Base-Backbone interact. energy: -0.861
local terms energy: -227.588025
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -44.528
flat angles C4'-P-C4' energy: -57.092
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -54.434
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -657.607078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.607078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.607078 (E_RNA)
where:
Base-Base interactions energy: -439.771
where: short stacking energy: -195.398
Base-Backbone interact. energy: -0.446
local terms energy: -217.389444
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -40.573
flat angles C4'-P-C4' energy: -49.266
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -52.671
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -589.624924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.624924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.624924 (E_RNA)
where:
Base-Base interactions energy: -384.268
where: short stacking energy: -181.296
Base-Backbone interact. energy: -0.168
local terms energy: -205.188276
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -41.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -228.576665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.576665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.576665 (E_RNA)
where:
Base-Base interactions energy: -89.041
where: short stacking energy: -83.950
Base-Backbone interact. energy: -0.933
local terms energy: -138.601809
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -40.943
flat angles C4'-P-C4' energy: -45.139
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -929.450125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.450125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.450125 (E_RNA)
where:
Base-Base interactions energy: -644.749
where: short stacking energy: -276.091
Base-Backbone interact. energy: 0.623
local terms energy: -285.323573
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -49.719
flat angles C4'-P-C4' energy: -62.418
flat angles P-C4'-P energy: -45.346
tors. eta vs tors. theta energy: -77.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -942.202693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.202693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.202693 (E_RNA)
where:
Base-Base interactions energy: -658.129
where: short stacking energy: -286.228
Base-Backbone interact. energy: -0.406
local terms energy: -283.667621
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -61.807
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -77.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -906.504568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.504568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.504568 (E_RNA)
where:
Base-Base interactions energy: -622.953
where: short stacking energy: -259.912
Base-Backbone interact. energy: -2.047
local terms energy: -281.504219
where:
bonds (distance) C4'-P energy: -46.896
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -81.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -883.542943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.542943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.542943 (E_RNA)
where:
Base-Base interactions energy: -613.414
where: short stacking energy: -252.321
Base-Backbone interact. energy: -0.229
local terms energy: -269.900426
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -44.250
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -83.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -851.731342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.731342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.731342 (E_RNA)
where:
Base-Base interactions energy: -583.196
where: short stacking energy: -264.163
Base-Backbone interact. energy: 0.793
local terms energy: -269.328162
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -56.478
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -79.299
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -781.990658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.990658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.990658 (E_RNA)
where:
Base-Base interactions energy: -533.988
where: short stacking energy: -217.197
Base-Backbone interact. energy: -1.013
local terms energy: -246.989936
where:
bonds (distance) C4'-P energy: -53.114
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -36.095
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: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -788.561504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.561504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.561504 (E_RNA)
where:
Base-Base interactions energy: -538.255
where: short stacking energy: -215.381
Base-Backbone interact. energy: -0.746
local terms energy: -249.560089
where:
bonds (distance) C4'-P energy: -44.471
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -39.894
tors. eta vs tors. theta energy: -63.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -678.979175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.979175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.979175 (E_RNA)
where:
Base-Base interactions energy: -458.067
where: short stacking energy: -200.688
Base-Backbone interact. energy: 0.102
local terms energy: -221.014173
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -49.603
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -54.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -629.074642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.074642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.074642 (E_RNA)
where:
Base-Base interactions energy: -416.836
where: short stacking energy: -189.158
Base-Backbone interact. energy: -1.672
local terms energy: -210.566338
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -47.748
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -37.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -259.300609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.300609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.300609 (E_RNA)
where:
Base-Base interactions energy: -119.550
where: short stacking energy: -84.354
Base-Backbone interact. energy: 1.038
local terms energy: -140.787855
where:
bonds (distance) C4'-P energy: -45.936
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: 10.488
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: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -944.341845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.341845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.341845 (E_RNA)
where:
Base-Base interactions energy: -662.187
where: short stacking energy: -291.495
Base-Backbone interact. energy: -0.755
local terms energy: -281.399810
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -60.185
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -86.893
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: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -914.804220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.804220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.804220 (E_RNA)
where:
Base-Base interactions energy: -623.066
where: short stacking energy: -281.755
Base-Backbone interact. energy: -0.749
local terms energy: -290.989520
where:
bonds (distance) C4'-P energy: -60.963
bonds (distance) P-C4' energy: -53.663
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -41.413
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: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -910.492603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.492603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.492603 (E_RNA)
where:
Base-Base interactions energy: -614.115
where: short stacking energy: -256.971
Base-Backbone interact. energy: -0.972
local terms energy: -295.406250
where:
bonds (distance) C4'-P energy: -55.201
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -57.565
flat angles P-C4'-P energy: -44.058
tors. eta vs tors. theta energy: -80.466
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: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -899.447464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.447464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.447464 (E_RNA)
where:
Base-Base interactions energy: -634.301
where: short stacking energy: -266.428
Base-Backbone interact. energy: -1.018
local terms energy: -264.128516
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -45.099
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: -84.377
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: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -826.038383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.038383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.038383 (E_RNA)
where:
Base-Base interactions energy: -574.254
where: short stacking energy: -247.500
Base-Backbone interact. energy: -1.273
local terms energy: -250.510603
where:
bonds (distance) C4'-P energy: -46.893
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -53.498
flat angles P-C4'-P energy: -44.411
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: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -803.999659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.999659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.999659 (E_RNA)
where:
Base-Base interactions energy: -547.063
where: short stacking energy: -229.949
Base-Backbone interact. energy: -0.872
local terms energy: -256.064281
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -66.678
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: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -760.739551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.739551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.739551 (E_RNA)
where:
Base-Base interactions energy: -540.745
where: short stacking energy: -225.101
Base-Backbone interact. energy: -0.286
local terms energy: -219.708497
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -39.583
flat angles C4'-P-C4' energy: -46.013
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -56.165
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -660.601003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.601003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.601003 (E_RNA)
where:
Base-Base interactions energy: -442.450
where: short stacking energy: -193.315
Base-Backbone interact. energy: 1.237
local terms energy: -219.388514
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -46.231
flat angles C4'-P-C4' energy: -50.574
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -55.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -623.846559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.846559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.846559 (E_RNA)
where:
Base-Base interactions energy: -428.557
where: short stacking energy: -172.977
Base-Backbone interact. energy: 0.861
local terms energy: -196.150479
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -43.201
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -36.836
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: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -232.431452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.431452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.431452 (E_RNA)
where:
Base-Base interactions energy: -96.748
where: short stacking energy: -60.315
Base-Backbone interact. energy: 0.445
local terms energy: -136.129260
where:
bonds (distance) C4'-P energy: -40.365
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: 12.210
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: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -960.694391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.694391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.694391 (E_RNA)
where:
Base-Base interactions energy: -654.472
where: short stacking energy: -284.072
Base-Backbone interact. energy: -0.334
local terms energy: -305.888004
where:
bonds (distance) C4'-P energy: -55.172
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -62.317
flat angles P-C4'-P energy: -42.804
tors. eta vs tors. theta energy: -89.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -922.020421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.020421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.020421 (E_RNA)
where:
Base-Base interactions energy: -628.453
where: short stacking energy: -276.977
Base-Backbone interact. energy: -0.453
local terms energy: -293.113583
where:
bonds (distance) C4'-P energy: -49.970
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -63.389
flat angles P-C4'-P energy: -49.748
tors. eta vs tors. theta energy: -79.969
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: 385
Temperature: 1.000000
Total energy: -910.032376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.032376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.032376 (E_RNA)
where:
Base-Base interactions energy: -617.758
where: short stacking energy: -266.179
Base-Backbone interact. energy: -0.547
local terms energy: -291.726660
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -48.981
tors. eta vs tors. theta energy: -78.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -895.515423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.515423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.515423 (E_RNA)
where:
Base-Base interactions energy: -623.523
where: short stacking energy: -282.553
Base-Backbone interact. energy: -0.914
local terms energy: -271.078750
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -54.763
flat angles C4'-P-C4' energy: -56.255
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -87.291
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -829.731067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.731067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.731067 (E_RNA)
where:
Base-Base interactions energy: -568.884
where: short stacking energy: -244.601
Base-Backbone interact. energy: -0.781
local terms energy: -260.065756
where:
bonds (distance) C4'-P energy: -55.287
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -53.634
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -70.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -815.219487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.219487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.219487 (E_RNA)
where:
Base-Base interactions energy: -567.252
where: short stacking energy: -239.355
Base-Backbone interact. energy: 0.188
local terms energy: -248.156319
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -56.228
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -66.805
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: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -777.592459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.592459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.592459 (E_RNA)
where:
Base-Base interactions energy: -538.836
where: short stacking energy: -237.559
Base-Backbone interact. energy: 0.128
local terms energy: -238.883679
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -45.175
flat angles C4'-P-C4' energy: -57.385
flat angles P-C4'-P energy: -37.463
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: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -676.214469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.214469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.214469 (E_RNA)
where:
Base-Base interactions energy: -465.562
where: short stacking energy: -202.268
Base-Backbone interact. energy: 4.401
local terms energy: -215.053466
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -51.766
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -606.738290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.738290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.738290 (E_RNA)
where:
Base-Base interactions energy: -377.819
where: short stacking energy: -167.512
Base-Backbone interact. energy: -1.111
local terms energy: -227.807916
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -52.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -226.936002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.936002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.936002 (E_RNA)
where:
Base-Base interactions energy: -93.630
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.511
local terms energy: -132.794658
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: 11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -945.813728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.813728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.813728 (E_RNA)
where:
Base-Base interactions energy: -654.931
where: short stacking energy: -278.742
Base-Backbone interact. energy: -1.096
local terms energy: -289.786979
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -85.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -955.805739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.805739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.805739 (E_RNA)
where:
Base-Base interactions energy: -655.577
where: short stacking energy: -290.996
Base-Backbone interact. energy: -1.382
local terms energy: -298.846232
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -57.521
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -87.853
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: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -923.212502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.212502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.212502 (E_RNA)
where:
Base-Base interactions energy: -643.214
where: short stacking energy: -283.561
Base-Backbone interact. energy: -0.139
local terms energy: -279.859225
where:
bonds (distance) C4'-P energy: -45.867
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -56.033
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -83.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -903.516733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.516733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.516733 (E_RNA)
where:
Base-Base interactions energy: -620.220
where: short stacking energy: -271.650
Base-Backbone interact. energy: 0.460
local terms energy: -283.757224
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -82.030
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: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -831.749586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.749586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.749586 (E_RNA)
where:
Base-Base interactions energy: -588.372
where: short stacking energy: -245.035
Base-Backbone interact. energy: -1.225
local terms energy: -242.152505
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -42.058
flat angles C4'-P-C4' energy: -51.666
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -71.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -798.029168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.029168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.029168 (E_RNA)
where:
Base-Base interactions energy: -558.782
where: short stacking energy: -243.095
Base-Backbone interact. energy: -0.160
local terms energy: -239.086805
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -61.088
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -66.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -785.400236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.400236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.400236 (E_RNA)
where:
Base-Base interactions energy: -545.852
where: short stacking energy: -227.145
Base-Backbone interact. energy: 1.864
local terms energy: -241.411925
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -58.090
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -63.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -728.288069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.288069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.288069 (E_RNA)
where:
Base-Base interactions energy: -516.877
where: short stacking energy: -212.524
Base-Backbone interact. energy: -0.137
local terms energy: -211.274545
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -52.234
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -53.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -595.218557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.218557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.218557 (E_RNA)
where:
Base-Base interactions energy: -415.913
where: short stacking energy: -170.264
Base-Backbone interact. energy: -0.717
local terms energy: -178.589207
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -41.481
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: 386
Temperature: 1.350000
Total energy: -217.773114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.773114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.773114 (E_RNA)
where:
Base-Base interactions energy: -82.636
where: short stacking energy: -67.023
Base-Backbone interact. energy: 0.797
local terms energy: -135.934530
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -937.071567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.071567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.071567 (E_RNA)
where:
Base-Base interactions energy: -647.631
where: short stacking energy: -274.797
Base-Backbone interact. energy: -0.848
local terms energy: -288.591966
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -52.499
flat angles C4'-P-C4' energy: -52.933
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -79.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -928.803227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.803227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.803227 (E_RNA)
where:
Base-Base interactions energy: -644.878
where: short stacking energy: -258.888
Base-Backbone interact. energy: -0.985
local terms energy: -282.940237
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -76.794
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: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -931.309448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.309448 (E_RNA)
where:
Base-Base interactions energy: -642.667
where: short stacking energy: -282.059
Base-Backbone interact. energy: 1.295
local terms energy: -289.937017
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -50.679
flat angles C4'-P-C4' energy: -60.638
flat angles P-C4'-P energy: -39.358
tors. eta vs tors. theta energy: -88.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -880.422857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.422857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.422857 (E_RNA)
where:
Base-Base interactions energy: -623.305
where: short stacking energy: -263.995
Base-Backbone interact. energy: -0.116
local terms energy: -257.001616
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -73.703
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: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -845.244373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.244373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.244373 (E_RNA)
where:
Base-Base interactions energy: -576.701
where: short stacking energy: -232.785
Base-Backbone interact. energy: 0.813
local terms energy: -269.356505
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -53.170
flat angles C4'-P-C4' energy: -46.797
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: -68.412
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: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -792.645663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.645663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.645663 (E_RNA)
where:
Base-Base interactions energy: -544.666
where: short stacking energy: -231.935
Base-Backbone interact. energy: -1.521
local terms energy: -246.458143
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -47.553
flat angles P-C4'-P energy: -31.660
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: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -764.869940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.869940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.869940 (E_RNA)
where:
Base-Base interactions energy: -511.767
where: short stacking energy: -223.750
Base-Backbone interact. energy: 0.173
local terms energy: -253.275688
where:
bonds (distance) C4'-P energy: -61.571
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -38.949
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: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -752.595101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.595101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.595101 (E_RNA)
where:
Base-Base interactions energy: -537.723
where: short stacking energy: -225.983
Base-Backbone interact. energy: -0.440
local terms energy: -214.431578
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -32.871
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: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -574.918090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.918090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.918090 (E_RNA)
where:
Base-Base interactions energy: -372.299
where: short stacking energy: -173.371
Base-Backbone interact. energy: -1.953
local terms energy: -200.666847
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -40.758
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: 387
Temperature: 1.350000
Total energy: -220.897347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897347 (E_RNA)
where:
Base-Base interactions energy: -76.666
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.900
local terms energy: -143.331456
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: 3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -943.700513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.700513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.700513 (E_RNA)
where:
Base-Base interactions energy: -656.987
where: short stacking energy: -277.989
Base-Backbone interact. energy: -1.025
local terms energy: -285.688080
where:
bonds (distance) C4'-P energy: -57.376
bonds (distance) P-C4' energy: -56.402
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -74.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -919.628782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.628782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.628782 (E_RNA)
where:
Base-Base interactions energy: -634.803
where: short stacking energy: -269.675
Base-Backbone interact. energy: -1.296
local terms energy: -283.529222
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -58.333
flat angles C4'-P-C4' energy: -57.271
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -80.919
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -924.597184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.597184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.597184 (E_RNA)
where:
Base-Base interactions energy: -647.787
where: short stacking energy: -279.359
Base-Backbone interact. energy: -0.857
local terms energy: -275.952647
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -83.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -888.041624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.041624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.041624 (E_RNA)
where:
Base-Base interactions energy: -615.728
where: short stacking energy: -268.899
Base-Backbone interact. energy: -0.321
local terms energy: -271.992564
where:
bonds (distance) C4'-P energy: -48.531
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -78.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -823.030152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.030152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.030152 (E_RNA)
where:
Base-Base interactions energy: -552.634
where: short stacking energy: -246.236
Base-Backbone interact. energy: -0.688
local terms energy: -269.707731
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -58.162
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -75.384
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: 388
Temperature: 1.150000
Total energy: -793.604964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.604964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.604964 (E_RNA)
where:
Base-Base interactions energy: -544.023
where: short stacking energy: -231.224
Base-Backbone interact. energy: -0.695
local terms energy: -248.887166
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -58.519
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: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -792.031691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.031691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.031691 (E_RNA)
where:
Base-Base interactions energy: -549.740
where: short stacking energy: -232.070
Base-Backbone interact. energy: -0.605
local terms energy: -241.686116
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -51.057
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -65.586
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: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -702.019476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.019476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.019476 (E_RNA)
where:
Base-Base interactions energy: -472.333
where: short stacking energy: -213.247
Base-Backbone interact. energy: 1.007
local terms energy: -230.694025
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -39.171
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -39.440
tors. eta vs tors. theta energy: -56.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -552.153722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.153722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.153722 (E_RNA)
where:
Base-Base interactions energy: -349.278
where: short stacking energy: -153.972
Base-Backbone interact. energy: -0.181
local terms energy: -202.694806
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -43.386
flat angles C4'-P-C4' energy: -45.254
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -35.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -259.055093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.055093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.055093 (E_RNA)
where:
Base-Base interactions energy: -93.734
where: short stacking energy: -76.173
Base-Backbone interact. energy: -0.442
local terms energy: -164.879046
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -42.950
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -960.648631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.648631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.648631 (E_RNA)
where:
Base-Base interactions energy: -678.097
where: short stacking energy: -278.671
Base-Backbone interact. energy: -2.288
local terms energy: -280.263820
where:
bonds (distance) C4'-P energy: -49.113
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -54.400
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -80.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -948.992465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.992465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.992465 (E_RNA)
where:
Base-Base interactions energy: -654.676
where: short stacking energy: -281.202
Base-Backbone interact. energy: -1.079
local terms energy: -293.237442
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -60.867
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -86.281
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: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -910.831487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.831487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.831487 (E_RNA)
where:
Base-Base interactions energy: -630.264
where: short stacking energy: -276.911
Base-Backbone interact. energy: -1.811
local terms energy: -278.756488
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -80.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -892.100112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.100112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.100112 (E_RNA)
where:
Base-Base interactions energy: -623.585
where: short stacking energy: -256.760
Base-Backbone interact. energy: 0.368
local terms energy: -268.882884
where:
bonds (distance) C4'-P energy: -42.906
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -82.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -827.310940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.310940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.310940 (E_RNA)
where:
Base-Base interactions energy: -584.157
where: short stacking energy: -256.792
Base-Backbone interact. energy: -0.182
local terms energy: -242.971423
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -65.667
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: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -824.564958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.564958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.564958 (E_RNA)
where:
Base-Base interactions energy: -574.092
where: short stacking energy: -265.888
Base-Backbone interact. energy: 1.866
local terms energy: -252.338672
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -52.326
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -76.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -780.409787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.409787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.409787 (E_RNA)
where:
Base-Base interactions energy: -539.129
where: short stacking energy: -228.253
Base-Backbone interact. energy: 0.683
local terms energy: -241.963748
where:
bonds (distance) C4'-P energy: -52.242
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: -63.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -709.470709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.470709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.470709 (E_RNA)
where:
Base-Base interactions energy: -495.598
where: short stacking energy: -216.592
Base-Backbone interact. energy: -0.736
local terms energy: -213.136737
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -58.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -583.080028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.080028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.080028 (E_RNA)
where:
Base-Base interactions energy: -369.251
where: short stacking energy: -155.974
Base-Backbone interact. energy: 1.094
local terms energy: -214.922619
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -53.288
flat angles C4'-P-C4' energy: -48.943
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -33.979
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: 389
Temperature: 1.350000
Total energy: -230.413502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.413502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.413502 (E_RNA)
where:
Base-Base interactions energy: -78.936
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.555
local terms energy: -150.922708
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: 4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -962.253608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.253608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.253608 (E_RNA)
where:
Base-Base interactions energy: -674.698
where: short stacking energy: -285.866
Base-Backbone interact. energy: -1.784
local terms energy: -285.771441
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -64.311
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -81.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -932.897522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.897522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.897522 (E_RNA)
where:
Base-Base interactions energy: -649.405
where: short stacking energy: -265.577
Base-Backbone interact. energy: -0.077
local terms energy: -283.415049
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -78.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -911.439314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.439314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.439314 (E_RNA)
where:
Base-Base interactions energy: -630.019
where: short stacking energy: -271.887
Base-Backbone interact. energy: -1.162
local terms energy: -280.257894
where:
bonds (distance) C4'-P energy: -56.375
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -59.180
flat angles P-C4'-P energy: -41.696
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: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -843.580568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.580568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.580568 (E_RNA)
where:
Base-Base interactions energy: -574.215
where: short stacking energy: -237.868
Base-Backbone interact. energy: -0.633
local terms energy: -268.731926
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -74.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -830.424674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.424674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.424674 (E_RNA)
where:
Base-Base interactions energy: -587.778
where: short stacking energy: -260.708
Base-Backbone interact. energy: -0.799
local terms energy: -241.847455
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -43.238
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -37.438
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -816.535628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.535628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.535628 (E_RNA)
where:
Base-Base interactions energy: -558.143
where: short stacking energy: -229.955
Base-Backbone interact. energy: -1.258
local terms energy: -257.134612
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -56.661
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -71.858
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: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -797.193960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.193960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.193960 (E_RNA)
where:
Base-Base interactions energy: -551.951
where: short stacking energy: -240.386
Base-Backbone interact. energy: -1.101
local terms energy: -244.142121
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -54.428
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -67.718
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: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -721.568819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.568819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.568819 (E_RNA)
where:
Base-Base interactions energy: -496.191
where: short stacking energy: -200.549
Base-Backbone interact. energy: -0.451
local terms energy: -224.927310
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -50.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -563.366069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.366069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.366069 (E_RNA)
where:
Base-Base interactions energy: -364.018
where: short stacking energy: -160.146
Base-Backbone interact. energy: -0.448
local terms energy: -198.900076
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -45.106
flat angles C4'-P-C4' energy: -51.694
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -29.131
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: 390
Temperature: 1.350000
Total energy: -244.118164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.118164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.118164 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -78.951
Base-Backbone interact. energy: -1.316
local terms energy: -145.578052
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -955.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.873196 (E_RNA)
where:
Base-Base interactions energy: -665.703
where: short stacking energy: -289.030
Base-Backbone interact. energy: -0.103
local terms energy: -290.066701
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -56.287
flat angles C4'-P-C4' energy: -55.554
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -86.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -935.569849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.569849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.569849 (E_RNA)
where:
Base-Base interactions energy: -637.866
where: short stacking energy: -268.584
Base-Backbone interact. energy: -1.593
local terms energy: -296.110519
where:
bonds (distance) C4'-P energy: -56.301
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -62.715
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: -83.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -927.541837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.541837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.541837 (E_RNA)
where:
Base-Base interactions energy: -642.779
where: short stacking energy: -284.695
Base-Backbone interact. energy: 0.347
local terms energy: -285.109518
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -40.976
tors. eta vs tors. theta energy: -85.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -863.454327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.454327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.454327 (E_RNA)
where:
Base-Base interactions energy: -583.612
where: short stacking energy: -268.177
Base-Backbone interact. energy: -0.517
local terms energy: -279.325844
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -43.253
tors. eta vs tors. theta energy: -79.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -819.628952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.628952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.628952 (E_RNA)
where:
Base-Base interactions energy: -559.200
where: short stacking energy: -235.294
Base-Backbone interact. energy: -1.257
local terms energy: -259.171758
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -789.353712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.353712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.353712 (E_RNA)
where:
Base-Base interactions energy: -549.903
where: short stacking energy: -225.008
Base-Backbone interact. energy: -1.232
local terms energy: -238.218141
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -52.205
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -59.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -761.297328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.297328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.297328 (E_RNA)
where:
Base-Base interactions energy: -516.480
where: short stacking energy: -227.606
Base-Backbone interact. energy: -0.915
local terms energy: -243.902420
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -42.111
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -64.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -721.249513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.249513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.249513 (E_RNA)
where:
Base-Base interactions energy: -488.257
where: short stacking energy: -195.807
Base-Backbone interact. energy: -0.754
local terms energy: -232.238001
where:
bonds (distance) C4'-P energy: -45.456
bonds (distance) P-C4' energy: -56.199
flat angles C4'-P-C4' energy: -51.517
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: -54.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -553.094359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.094359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.094359 (E_RNA)
where:
Base-Base interactions energy: -345.685
where: short stacking energy: -143.242
Base-Backbone interact. energy: -0.134
local terms energy: -207.275411
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.164
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: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -222.574508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.574508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.574508 (E_RNA)
where:
Base-Base interactions energy: -73.744
where: short stacking energy: -56.449
Base-Backbone interact. energy: -1.364
local terms energy: -147.466337
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -970.835613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.835613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.835613 (E_RNA)
where:
Base-Base interactions energy: -668.989
where: short stacking energy: -295.773
Base-Backbone interact. energy: -0.912
local terms energy: -300.935318
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -85.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -947.935170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.935170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.935170 (E_RNA)
where:
Base-Base interactions energy: -655.230
where: short stacking energy: -282.602
Base-Backbone interact. energy: -1.128
local terms energy: -291.576902
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -59.178
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -86.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -908.247649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.247649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.247649 (E_RNA)
where:
Base-Base interactions energy: -642.036
where: short stacking energy: -269.494
Base-Backbone interact. energy: -0.638
local terms energy: -265.574387
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -56.903
flat angles P-C4'-P energy: -44.834
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: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -843.167394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.167394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.167394 (E_RNA)
where:
Base-Base interactions energy: -597.228
where: short stacking energy: -260.978
Base-Backbone interact. energy: 0.552
local terms energy: -246.491379
where:
bonds (distance) C4'-P energy: -42.165
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -37.029
tors. eta vs tors. theta energy: -76.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -825.605284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.605284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.605284 (E_RNA)
where:
Base-Base interactions energy: -557.679
where: short stacking energy: -244.924
Base-Backbone interact. energy: -0.851
local terms energy: -267.075350
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -75.000
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: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -784.271564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.271564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.271564 (E_RNA)
where:
Base-Base interactions energy: -539.407
where: short stacking energy: -218.003
Base-Backbone interact. energy: -1.409
local terms energy: -243.455457
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -59.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -760.320083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.320083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.320083 (E_RNA)
where:
Base-Base interactions energy: -522.037
where: short stacking energy: -212.877
Base-Backbone interact. energy: -0.784
local terms energy: -237.499771
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -44.994
flat angles C4'-P-C4' energy: -53.077
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -65.651
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: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -747.966046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.966046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.966046 (E_RNA)
where:
Base-Base interactions energy: -518.333
where: short stacking energy: -212.948
Base-Backbone interact. energy: 0.709
local terms energy: -230.341852
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -45.820
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -60.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -584.353010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.353010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.353010 (E_RNA)
where:
Base-Base interactions energy: -382.098
where: short stacking energy: -169.735
Base-Backbone interact. energy: 7.382
local terms energy: -209.636575
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -47.835
flat angles C4'-P-C4' energy: -46.216
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -37.561
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: 392
Temperature: 1.350000
Total energy: -243.360477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.360477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360477 (E_RNA)
where:
Base-Base interactions energy: -92.530
where: short stacking energy: -70.820
Base-Backbone interact. energy: -1.468
local terms energy: -149.362753
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -46.578
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: 5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -971.016090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.016090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.016090 (E_RNA)
where:
Base-Base interactions energy: -671.523
where: short stacking energy: -290.013
Base-Backbone interact. energy: -0.902
local terms energy: -298.591837
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -88.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -936.466392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.466392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.466392 (E_RNA)
where:
Base-Base interactions energy: -650.096
where: short stacking energy: -272.603
Base-Backbone interact. energy: -0.369
local terms energy: -286.001453
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -54.897
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -909.648632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.648632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.648632 (E_RNA)
where:
Base-Base interactions energy: -638.916
where: short stacking energy: -281.856
Base-Backbone interact. energy: -1.505
local terms energy: -269.228214
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -50.965
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: -80.917
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: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -864.958614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.958614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.958614 (E_RNA)
where:
Base-Base interactions energy: -606.626
where: short stacking energy: -259.647
Base-Backbone interact. energy: -0.463
local terms energy: -257.868740
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -54.657
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -79.758
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: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -852.863446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.863446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.863446 (E_RNA)
where:
Base-Base interactions energy: -601.353
where: short stacking energy: -250.201
Base-Backbone interact. energy: -0.289
local terms energy: -251.221876
where:
bonds (distance) C4'-P energy: -48.332
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -54.033
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -72.318
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: 393
Temperature: 1.150000
Total energy: -776.459408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.459408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.459408 (E_RNA)
where:
Base-Base interactions energy: -543.951
where: short stacking energy: -222.543
Base-Backbone interact. energy: 0.112
local terms energy: -232.620539
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -45.686
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -63.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -778.320771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.320771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.320771 (E_RNA)
where:
Base-Base interactions energy: -535.091
where: short stacking energy: -212.116
Base-Backbone interact. energy: -0.961
local terms energy: -242.269190
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -43.033
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -62.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -754.614745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.614745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.614745 (E_RNA)
where:
Base-Base interactions energy: -518.601
where: short stacking energy: -218.712
Base-Backbone interact. energy: 1.373
local terms energy: -237.386801
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -65.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -560.029415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.029415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.029415 (E_RNA)
where:
Base-Base interactions energy: -369.714
where: short stacking energy: -159.039
Base-Backbone interact. energy: -1.830
local terms energy: -188.485265
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -211.033045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.033045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.033045 (E_RNA)
where:
Base-Base interactions energy: -76.867
where: short stacking energy: -62.458
Base-Backbone interact. energy: 5.294
local terms energy: -139.460045
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -52.968
flat angles C4'-P-C4' energy: -38.120
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: 10.124
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: 394
Temperature: 0.900000
Total energy: -966.297710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.297710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.297710 (E_RNA)
where:
Base-Base interactions energy: -669.361
where: short stacking energy: -291.062
Base-Backbone interact. energy: -1.236
local terms energy: -295.700967
where:
bonds (distance) C4'-P energy: -43.764
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -87.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -951.328943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.328943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.328943 (E_RNA)
where:
Base-Base interactions energy: -648.406
where: short stacking energy: -280.454
Base-Backbone interact. energy: -0.814
local terms energy: -302.108962
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -63.713
flat angles P-C4'-P energy: -46.126
tors. eta vs tors. theta energy: -83.835
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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -923.147961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.147961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.147961 (E_RNA)
where:
Base-Base interactions energy: -650.364
where: short stacking energy: -255.958
Base-Backbone interact. energy: -1.433
local terms energy: -271.350972
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -54.757
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -44.720
tors. eta vs tors. theta energy: -77.995
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: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -844.778818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.778818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.778818 (E_RNA)
where:
Base-Base interactions energy: -581.649
where: short stacking energy: -265.219
Base-Backbone interact. energy: 0.827
local terms energy: -263.956774
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -77.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -873.594151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.594151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.594151 (E_RNA)
where:
Base-Base interactions energy: -601.633
where: short stacking energy: -261.392
Base-Backbone interact. energy: -0.564
local terms energy: -271.397341
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -55.019
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -77.125
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: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -788.227288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.227288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.227288 (E_RNA)
where:
Base-Base interactions energy: -543.364
where: short stacking energy: -226.731
Base-Backbone interact. energy: 1.372
local terms energy: -246.235681
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -43.249
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: -72.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -797.129732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.129732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.129732 (E_RNA)
where:
Base-Base interactions energy: -539.463
where: short stacking energy: -226.349
Base-Backbone interact. energy: -0.489
local terms energy: -257.178213
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -50.453
flat angles P-C4'-P energy: -36.925
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -750.343690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.343690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.343690 (E_RNA)
where:
Base-Base interactions energy: -533.542
where: short stacking energy: -230.614
Base-Backbone interact. energy: -1.343
local terms energy: -215.458907
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -40.288
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -64.596
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: 394
Temperature: 1.300000
Total energy: -580.418675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.418675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.418675 (E_RNA)
where:
Base-Base interactions energy: -365.106
where: short stacking energy: -159.415
Base-Backbone interact. energy: -1.066
local terms energy: -214.247160
where:
bonds (distance) C4'-P energy: -36.799
bonds (distance) P-C4' energy: -54.565
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -28.292
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: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -226.111278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.111278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.111278 (E_RNA)
where:
Base-Base interactions energy: -88.811
where: short stacking energy: -76.419
Base-Backbone interact. energy: -0.570
local terms energy: -136.730430
where:
bonds (distance) C4'-P energy: -43.885
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -36.856
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -959.754094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.754094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.754094 (E_RNA)
where:
Base-Base interactions energy: -660.146
where: short stacking energy: -290.877
Base-Backbone interact. energy: -0.462
local terms energy: -299.146526
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -43.275
tors. eta vs tors. theta energy: -79.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -943.112084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.112084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.112084 (E_RNA)
where:
Base-Base interactions energy: -648.908
where: short stacking energy: -278.070
Base-Backbone interact. energy: -1.744
local terms energy: -292.459886
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -61.769
flat angles C4'-P-C4' energy: -59.065
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -80.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -936.620412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.620412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.620412 (E_RNA)
where:
Base-Base interactions energy: -651.115
where: short stacking energy: -279.222
Base-Backbone interact. energy: 0.386
local terms energy: -285.891920
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -45.737
flat angles C4'-P-C4' energy: -59.427
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -86.690
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: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -850.476504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.476504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.476504 (E_RNA)
where:
Base-Base interactions energy: -560.781
where: short stacking energy: -244.001
Base-Backbone interact. energy: -0.451
local terms energy: -289.244442
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -63.759
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -76.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -868.903940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.903940 (E_RNA)
where:
Base-Base interactions energy: -598.438
where: short stacking energy: -261.740
Base-Backbone interact. energy: 0.266
local terms energy: -270.731938
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -78.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -772.356751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.356751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.356751 (E_RNA)
where:
Base-Base interactions energy: -520.588
where: short stacking energy: -218.776
Base-Backbone interact. energy: -0.665
local terms energy: -251.103180
where:
bonds (distance) C4'-P energy: -43.515
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -38.542
tors. eta vs tors. theta energy: -59.277
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: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -761.787703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.787703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.787703 (E_RNA)
where:
Base-Base interactions energy: -509.063
where: short stacking energy: -218.390
Base-Backbone interact. energy: 0.248
local terms energy: -252.973096
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -62.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -714.728048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.728048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.728048 (E_RNA)
where:
Base-Base interactions energy: -481.674
where: short stacking energy: -218.841
Base-Backbone interact. energy: 1.040
local terms energy: -234.093867
where:
bonds (distance) C4'-P energy: -44.149
bonds (distance) P-C4' energy: -40.625
flat angles C4'-P-C4' energy: -57.332
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -62.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -566.359627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.359627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.359627 (E_RNA)
where:
Base-Base interactions energy: -362.648
where: short stacking energy: -161.679
Base-Backbone interact. energy: -1.983
local terms energy: -201.728769
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -45.492
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -36.653
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: 395
Temperature: 1.350000
Total energy: -222.611493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.611493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.611493 (E_RNA)
where:
Base-Base interactions energy: -76.374
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.488
local terms energy: -145.749071
where:
bonds (distance) C4'-P energy: -49.844
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -968.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.978678 (E_RNA)
where:
Base-Base interactions energy: -681.321
where: short stacking energy: -288.488
Base-Backbone interact. energy: -0.350
local terms energy: -287.308294
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -63.560
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -76.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -938.586710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.586710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.586710 (E_RNA)
where:
Base-Base interactions energy: -651.443
where: short stacking energy: -270.028
Base-Backbone interact. energy: -0.730
local terms energy: -286.413939
where:
bonds (distance) C4'-P energy: -52.172
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -54.892
flat angles P-C4'-P energy: -43.783
tors. eta vs tors. theta energy: -82.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -921.187609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.187609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.187609 (E_RNA)
where:
Base-Base interactions energy: -648.891
where: short stacking energy: -281.642
Base-Backbone interact. energy: 0.002
local terms energy: -272.298560
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -55.276
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -87.702
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: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -841.223141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.223141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.223141 (E_RNA)
where:
Base-Base interactions energy: -576.580
where: short stacking energy: -266.366
Base-Backbone interact. energy: 0.340
local terms energy: -264.983557
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -74.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -842.612418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.612418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.612418 (E_RNA)
where:
Base-Base interactions energy: -590.636
where: short stacking energy: -233.237
Base-Backbone interact. energy: 2.304
local terms energy: -254.280159
where:
bonds (distance) C4'-P energy: -47.586
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -59.199
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -73.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -789.931759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.931759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.931759 (E_RNA)
where:
Base-Base interactions energy: -551.498
where: short stacking energy: -231.199
Base-Backbone interact. energy: -0.623
local terms energy: -237.810538
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -60.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -766.847703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.847703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.847703 (E_RNA)
where:
Base-Base interactions energy: -529.423
where: short stacking energy: -238.028
Base-Backbone interact. energy: 0.939
local terms energy: -238.364123
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -46.464
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -74.997
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: 396
Temperature: 1.250000
Total energy: -707.747467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.747467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.747467 (E_RNA)
where:
Base-Base interactions energy: -481.701
where: short stacking energy: -193.377
Base-Backbone interact. energy: -0.128
local terms energy: -225.918145
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -54.341
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -46.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -587.196818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.196818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.196818 (E_RNA)
where:
Base-Base interactions energy: -383.780
where: short stacking energy: -162.988
Base-Backbone interact. energy: -1.051
local terms energy: -202.366268
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -51.951
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -35.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -218.939785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.939785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.939785 (E_RNA)
where:
Base-Base interactions energy: -88.414
where: short stacking energy: -62.512
Base-Backbone interact. energy: -1.280
local terms energy: -129.245053
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: 10.617
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: 397
Temperature: 0.900000
Total energy: -946.421612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.421612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.421612 (E_RNA)
where:
Base-Base interactions energy: -660.492
where: short stacking energy: -288.081
Base-Backbone interact. energy: -0.800
local terms energy: -285.129255
where:
bonds (distance) C4'-P energy: -56.751
bonds (distance) P-C4' energy: -47.921
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -79.506
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: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -950.610628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.610628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.610628 (E_RNA)
where:
Base-Base interactions energy: -672.100
where: short stacking energy: -285.308
Base-Backbone interact. energy: -1.098
local terms energy: -277.412698
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -81.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -931.761604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.761604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.761604 (E_RNA)
where:
Base-Base interactions energy: -647.659
where: short stacking energy: -270.588
Base-Backbone interact. energy: -0.873
local terms energy: -283.228999
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -60.472
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -82.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -872.666539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.666539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.666539 (E_RNA)
where:
Base-Base interactions energy: -597.135
where: short stacking energy: -252.151
Base-Backbone interact. energy: -0.323
local terms energy: -275.208405
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -57.230
flat angles P-C4'-P energy: -39.282
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: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -816.365649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.365649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.365649 (E_RNA)
where:
Base-Base interactions energy: -562.256
where: short stacking energy: -241.449
Base-Backbone interact. energy: 0.626
local terms energy: -254.735535
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -39.312
tors. eta vs tors. theta energy: -65.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -790.549508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.549508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.549508 (E_RNA)
where:
Base-Base interactions energy: -560.919
where: short stacking energy: -241.533
Base-Backbone interact. energy: -1.305
local terms energy: -228.325335
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -47.771
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -64.991
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: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -764.313785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.313785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.313785 (E_RNA)
where:
Base-Base interactions energy: -506.677
where: short stacking energy: -212.673
Base-Backbone interact. energy: -0.611
local terms energy: -257.025804
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -56.058
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -37.779
tors. eta vs tors. theta energy: -63.726
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: 397
Temperature: 1.250000
Total energy: -696.362319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.362319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.362319 (E_RNA)
where:
Base-Base interactions energy: -486.569
where: short stacking energy: -209.311
Base-Backbone interact. energy: -0.317
local terms energy: -209.476707
where:
bonds (distance) C4'-P energy: -37.532
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -23.740
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: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -587.724914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.724914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.724914 (E_RNA)
where:
Base-Base interactions energy: -372.596
where: short stacking energy: -177.327
Base-Backbone interact. energy: -1.838
local terms energy: -213.291073
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -49.554
flat angles P-C4'-P energy: -31.291
tors. eta vs tors. theta energy: -47.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -218.598505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.598505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.598505 (E_RNA)
where:
Base-Base interactions energy: -75.084
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.441
local terms energy: -143.073540
where:
bonds (distance) C4'-P energy: -44.954
bonds (distance) P-C4' energy: -45.677
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: 3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -966.649773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.649773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.649773 (E_RNA)
where:
Base-Base interactions energy: -681.350
where: short stacking energy: -281.503
Base-Backbone interact. energy: -0.536
local terms energy: -284.763246
where:
bonds (distance) C4'-P energy: -57.052
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -81.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -946.862718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.862718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.862718 (E_RNA)
where:
Base-Base interactions energy: -667.576
where: short stacking energy: -275.100
Base-Backbone interact. energy: -0.808
local terms energy: -278.478255
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -60.275
flat angles P-C4'-P energy: -43.161
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: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -920.153575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.153575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.153575 (E_RNA)
where:
Base-Base interactions energy: -643.263
where: short stacking energy: -276.561
Base-Backbone interact. energy: -2.105
local terms energy: -274.784989
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -57.548
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -85.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -854.516153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.516153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.516153 (E_RNA)
where:
Base-Base interactions energy: -575.220
where: short stacking energy: -239.934
Base-Backbone interact. energy: -0.852
local terms energy: -278.443475
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -73.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -829.543929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.543929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.543929 (E_RNA)
where:
Base-Base interactions energy: -567.891
where: short stacking energy: -255.017
Base-Backbone interact. energy: -0.212
local terms energy: -261.440575
where:
bonds (distance) C4'-P energy: -41.433
bonds (distance) P-C4' energy: -54.122
flat angles C4'-P-C4' energy: -54.006
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -77.106
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: 398
Temperature: 1.150000
Total energy: -827.586360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.586360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.586360 (E_RNA)
where:
Base-Base interactions energy: -564.502
where: short stacking energy: -242.252
Base-Backbone interact. energy: -0.558
local terms energy: -262.526425
where:
bonds (distance) C4'-P energy: -52.731
bonds (distance) P-C4' energy: -44.897
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -38.814
tors. eta vs tors. theta energy: -70.443
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: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -803.527070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.527070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.527070 (E_RNA)
where:
Base-Base interactions energy: -556.104
where: short stacking energy: -238.099
Base-Backbone interact. energy: 0.027
local terms energy: -247.450708
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -45.969
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -72.877
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: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -707.641734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.641734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.641734 (E_RNA)
where:
Base-Base interactions energy: -477.349
where: short stacking energy: -185.791
Base-Backbone interact. energy: -0.871
local terms energy: -229.421802
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -52.181
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -49.676
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -590.108850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.108850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.108850 (E_RNA)
where:
Base-Base interactions energy: -378.369
where: short stacking energy: -155.349
Base-Backbone interact. energy: -1.442
local terms energy: -210.297548
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -42.940
flat angles P-C4'-P energy: -30.855
tors. eta vs tors. theta energy: -32.970
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -227.432191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.432191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.432191 (E_RNA)
where:
Base-Base interactions energy: -95.849
where: short stacking energy: -62.979
Base-Backbone interact. energy: 0.166
local terms energy: -131.749408
where:
bonds (distance) C4'-P energy: -40.276
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: 14.117
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -959.761157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.761157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.761157 (E_RNA)
where:
Base-Base interactions energy: -665.645
where: short stacking energy: -292.090
Base-Backbone interact. energy: 0.456
local terms energy: -294.572681
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -58.026
flat angles C4'-P-C4' energy: -67.243
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -82.045
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: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -953.410963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.410963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.410963 (E_RNA)
where:
Base-Base interactions energy: -674.877
where: short stacking energy: -295.830
Base-Backbone interact. energy: 0.532
local terms energy: -279.065364
where:
bonds (distance) C4'-P energy: -56.162
bonds (distance) P-C4' energy: -47.812
flat angles C4'-P-C4' energy: -60.777
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: -84.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -932.639901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.639901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.639901 (E_RNA)
where:
Base-Base interactions energy: -649.879
where: short stacking energy: -286.935
Base-Backbone interact. energy: -0.239
local terms energy: -282.522159
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -47.119
flat angles C4'-P-C4' energy: -60.372
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -84.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -866.815798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.815798 (E_RNA)
where:
Base-Base interactions energy: -597.314
where: short stacking energy: -253.190
Base-Backbone interact. energy: -1.937
local terms energy: -267.564595
where:
bonds (distance) C4'-P energy: -57.824
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -50.690
flat angles P-C4'-P energy: -39.216
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: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -819.166151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.166151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.166151 (E_RNA)
where:
Base-Base interactions energy: -553.800
where: short stacking energy: -249.101
Base-Backbone interact. energy: 0.269
local terms energy: -265.635133
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -49.703
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -76.885
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: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -800.063367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.063367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.063367 (E_RNA)
where:
Base-Base interactions energy: -571.783
where: short stacking energy: -235.195
Base-Backbone interact. energy: -0.637
local terms energy: -227.643871
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -34.964
flat angles C4'-P-C4' energy: -51.328
flat angles P-C4'-P energy: -36.322
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: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -781.424337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.424337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.424337 (E_RNA)
where:
Base-Base interactions energy: -529.862
where: short stacking energy: -222.889
Base-Backbone interact. energy: -1.154
local terms energy: -250.408563
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -53.152
flat angles C4'-P-C4' energy: -50.337
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -70.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -747.279497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.279497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.279497 (E_RNA)
where:
Base-Base interactions energy: -519.389
where: short stacking energy: -225.410
Base-Backbone interact. energy: 0.888
local terms energy: -228.778343
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -22.799
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -568.429797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.429797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.429797 (E_RNA)
where:
Base-Base interactions energy: -369.273
where: short stacking energy: -158.594
Base-Backbone interact. energy: -0.522
local terms energy: -198.634473
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -41.563
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: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -275.392323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.392323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.392323 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -79.528
Base-Backbone interact. energy: 0.688
local terms energy: -127.812133
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: 5.658
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: 400
Temperature: 0.900000
Total energy: -961.652703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.652703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.652703 (E_RNA)
where:
Base-Base interactions energy: -668.352
where: short stacking energy: -275.999
Base-Backbone interact. energy: -0.445
local terms energy: -292.855320
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -80.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -952.509265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.509265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.509265 (E_RNA)
where:
Base-Base interactions energy: -655.698
where: short stacking energy: -282.721
Base-Backbone interact. energy: -0.308
local terms energy: -296.503509
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -65.381
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -86.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -955.527485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.527485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.527485 (E_RNA)
where:
Base-Base interactions energy: -661.346
where: short stacking energy: -277.725
Base-Backbone interact. energy: 0.165
local terms energy: -294.346520
where:
bonds (distance) C4'-P energy: -54.022
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -89.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -889.172599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.172599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.172599 (E_RNA)
where:
Base-Base interactions energy: -617.075
where: short stacking energy: -268.956
Base-Backbone interact. energy: -0.910
local terms energy: -271.187500
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -45.874
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -76.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -828.652901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.652901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.652901 (E_RNA)
where:
Base-Base interactions energy: -566.327
where: short stacking energy: -247.978
Base-Backbone interact. energy: -0.357
local terms energy: -261.968851
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -42.716
flat angles C4'-P-C4' energy: -47.865
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -74.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -802.221911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.221911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.221911 (E_RNA)
where:
Base-Base interactions energy: -544.987
where: short stacking energy: -241.028
Base-Backbone interact. energy: 1.519
local terms energy: -258.753515
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -53.993
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -70.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -774.763727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.763727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.763727 (E_RNA)
where:
Base-Base interactions energy: -525.503
where: short stacking energy: -226.231
Base-Backbone interact. energy: 0.285
local terms energy: -249.545710
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -63.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -738.421893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.421893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.421893 (E_RNA)
where:
Base-Base interactions energy: -511.148
where: short stacking energy: -209.751
Base-Backbone interact. energy: 0.966
local terms energy: -228.239698
where:
bonds (distance) C4'-P energy: -37.787
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -37.021
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: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -569.321789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.321789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.321789 (E_RNA)
where:
Base-Base interactions energy: -374.645
where: short stacking energy: -163.947
Base-Backbone interact. energy: 1.424
local terms energy: -196.101148
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -43.476
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: -28.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -321.955424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.955424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.955424 (E_RNA)
where:
Base-Base interactions energy: -171.998
where: short stacking energy: -82.433
Base-Backbone interact. energy: -1.211
local terms energy: -148.746073
where:
bonds (distance) C4'-P energy: -46.128
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -955.061777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.061777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.061777 (E_RNA)
where:
Base-Base interactions energy: -657.390
where: short stacking energy: -279.070
Base-Backbone interact. energy: -2.654
local terms energy: -295.017734
where:
bonds (distance) C4'-P energy: -46.373
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -63.306
flat angles P-C4'-P energy: -47.832
tors. eta vs tors. theta energy: -82.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -945.981626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.981626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.981626 (E_RNA)
where:
Base-Base interactions energy: -657.787
where: short stacking energy: -282.233
Base-Backbone interact. energy: -0.715
local terms energy: -287.478885
where:
bonds (distance) C4'-P energy: -44.747
bonds (distance) P-C4' energy: -49.248
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -90.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -952.173141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.173141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.173141 (E_RNA)
where:
Base-Base interactions energy: -662.497
where: short stacking energy: -293.398
Base-Backbone interact. energy: -0.414
local terms energy: -289.261927
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -44.553
flat angles C4'-P-C4' energy: -59.391
flat angles P-C4'-P energy: -46.612
tors. eta vs tors. theta energy: -87.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -889.692479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.692479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.692479 (E_RNA)
where:
Base-Base interactions energy: -623.732
where: short stacking energy: -270.183
Base-Backbone interact. energy: -1.749
local terms energy: -264.210555
where:
bonds (distance) C4'-P energy: -51.857
bonds (distance) P-C4' energy: -44.731
flat angles C4'-P-C4' energy: -50.250
flat angles P-C4'-P energy: -43.601
tors. eta vs tors. theta energy: -73.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -820.722935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.722935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.722935 (E_RNA)
where:
Base-Base interactions energy: -556.030
where: short stacking energy: -258.848
Base-Backbone interact. energy: -0.215
local terms energy: -264.478095
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -48.203
flat angles C4'-P-C4' energy: -56.725
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -72.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -789.612165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.612165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.612165 (E_RNA)
where:
Base-Base interactions energy: -550.189
where: short stacking energy: -236.638
Base-Backbone interact. energy: -0.425
local terms energy: -238.998118
where:
bonds (distance) C4'-P energy: -41.934
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -61.152
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: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -775.923296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.923296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.923296 (E_RNA)
where:
Base-Base interactions energy: -529.309
where: short stacking energy: -221.512
Base-Backbone interact. energy: -0.510
local terms energy: -246.105119
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -53.444
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -66.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -754.969824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.969824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.969824 (E_RNA)
where:
Base-Base interactions energy: -523.135
where: short stacking energy: -223.683
Base-Backbone interact. energy: -0.138
local terms energy: -231.697021
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -61.869
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -559.960276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.960276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.960276 (E_RNA)
where:
Base-Base interactions energy: -370.754
where: short stacking energy: -165.698
Base-Backbone interact. energy: 0.446
local terms energy: -189.652420
where:
bonds (distance) C4'-P energy: -37.981
bonds (distance) P-C4' energy: -41.261
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -294.673851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.673851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.673851 (E_RNA)
where:
Base-Base interactions energy: -143.488
where: short stacking energy: -76.393
Base-Backbone interact. energy: 0.137
local terms energy: -151.323494
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -49.540
flat angles C4'-P-C4' energy: -42.870
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: 7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -962.360714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.360714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.360714 (E_RNA)
where:
Base-Base interactions energy: -688.314
where: short stacking energy: -292.193
Base-Backbone interact. energy: 1.999
local terms energy: -276.045487
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -88.018
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -938.780668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.780668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.780668 (E_RNA)
where:
Base-Base interactions energy: -646.870
where: short stacking energy: -266.627
Base-Backbone interact. energy: -1.156
local terms energy: -290.754442
where:
bonds (distance) C4'-P energy: -52.808
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -74.674
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: 402
Temperature: 1.000000
Total energy: -915.308141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.308141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.308141 (E_RNA)
where:
Base-Base interactions energy: -632.606
where: short stacking energy: -255.792
Base-Backbone interact. energy: -1.153
local terms energy: -281.548978
where:
bonds (distance) C4'-P energy: -51.125
bonds (distance) P-C4' energy: -54.406
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -83.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -898.419000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.419000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.419000 (E_RNA)
where:
Base-Base interactions energy: -626.337
where: short stacking energy: -261.684
Base-Backbone interact. energy: -1.576
local terms energy: -270.505849
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -56.774
flat angles C4'-P-C4' energy: -54.851
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -78.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -789.314229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.314229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.314229 (E_RNA)
where:
Base-Base interactions energy: -541.080
where: short stacking energy: -243.310
Base-Backbone interact. energy: -0.341
local terms energy: -247.893385
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -72.232
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -792.543933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.543933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.543933 (E_RNA)
where:
Base-Base interactions energy: -543.180
where: short stacking energy: -237.512
Base-Backbone interact. energy: -0.333
local terms energy: -249.030722
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -53.492
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -64.405
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -769.510528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.510528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.510528 (E_RNA)
where:
Base-Base interactions energy: -534.109
where: short stacking energy: -220.512
Base-Backbone interact. energy: -0.078
local terms energy: -235.322986
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -62.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -723.126931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.126931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.126931 (E_RNA)
where:
Base-Base interactions energy: -497.931
where: short stacking energy: -224.911
Base-Backbone interact. energy: -0.418
local terms energy: -224.778394
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -64.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -568.275303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.275303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.275303 (E_RNA)
where:
Base-Base interactions energy: -357.969
where: short stacking energy: -151.378
Base-Backbone interact. energy: -0.764
local terms energy: -209.542681
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -51.581
flat angles C4'-P-C4' energy: -51.448
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -320.241788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.241788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.241788 (E_RNA)
where:
Base-Base interactions energy: -150.907
where: short stacking energy: -93.433
Base-Backbone interact. energy: -0.781
local terms energy: -168.554568
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -42.032
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -5.138
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: 403
Temperature: 0.900000
Total energy: -977.738985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.738985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.738985 (E_RNA)
where:
Base-Base interactions energy: -668.693
where: short stacking energy: -298.035
Base-Backbone interact. energy: -0.564
local terms energy: -308.482115
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -66.117
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -89.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -962.588935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.588935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.588935 (E_RNA)
where:
Base-Base interactions energy: -678.566
where: short stacking energy: -284.396
Base-Backbone interact. energy: -1.542
local terms energy: -282.481392
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -54.432
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -83.262
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -925.205830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.205830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.205830 (E_RNA)
where:
Base-Base interactions energy: -635.691
where: short stacking energy: -264.481
Base-Backbone interact. energy: 0.224
local terms energy: -289.738791
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -76.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -875.797073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.797073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.797073 (E_RNA)
where:
Base-Base interactions energy: -606.504
where: short stacking energy: -256.920
Base-Backbone interact. energy: -0.733
local terms energy: -268.560811
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -42.875
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -76.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -783.045799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.045799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.045799 (E_RNA)
where:
Base-Base interactions energy: -525.062
where: short stacking energy: -226.329
Base-Backbone interact. energy: -0.305
local terms energy: -257.679532
where:
bonds (distance) C4'-P energy: -50.232
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -40.260
tors. eta vs tors. theta energy: -53.999
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: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -804.262938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.262938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.262938 (E_RNA)
where:
Base-Base interactions energy: -546.619
where: short stacking energy: -255.906
Base-Backbone interact. energy: -1.392
local terms energy: -256.251293
where:
bonds (distance) C4'-P energy: -41.284
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -50.571
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -73.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -800.932254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.932254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.932254 (E_RNA)
where:
Base-Base interactions energy: -552.032
where: short stacking energy: -241.671
Base-Backbone interact. energy: 0.224
local terms energy: -249.123776
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -61.722
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -76.454
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: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -756.469396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.469396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.469396 (E_RNA)
where:
Base-Base interactions energy: -523.784
where: short stacking energy: -222.554
Base-Backbone interact. energy: -1.035
local terms energy: -231.650517
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -52.287
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -64.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -553.012493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.012493 (E_RNA)
where:
Base-Base interactions energy: -363.773
where: short stacking energy: -169.875
Base-Backbone interact. energy: -0.814
local terms energy: -188.424876
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -251.581648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.581648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.581648 (E_RNA)
where:
Base-Base interactions energy: -100.658
where: short stacking energy: -64.054
Base-Backbone interact. energy: 0.341
local terms energy: -151.264659
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -27.933
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: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -976.781845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.781845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.781845 (E_RNA)
where:
Base-Base interactions energy: -672.503
where: short stacking energy: -289.636
Base-Backbone interact. energy: -0.792
local terms energy: -303.486475
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -55.715
flat angles C4'-P-C4' energy: -61.375
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -91.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -959.536658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.536658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.536658 (E_RNA)
where:
Base-Base interactions energy: -672.507
where: short stacking energy: -280.996
Base-Backbone interact. energy: 1.655
local terms energy: -288.684323
where:
bonds (distance) C4'-P energy: -46.491
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -86.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -947.163531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.163531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.163531 (E_RNA)
where:
Base-Base interactions energy: -665.662
where: short stacking energy: -290.496
Base-Backbone interact. energy: -0.138
local terms energy: -281.363638
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -81.553
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -877.100356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.100356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.100356 (E_RNA)
where:
Base-Base interactions energy: -603.483
where: short stacking energy: -260.340
Base-Backbone interact. energy: -1.046
local terms energy: -272.571308
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -50.370
flat angles C4'-P-C4' energy: -60.089
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -73.676
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: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -812.054837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.054837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.054837 (E_RNA)
where:
Base-Base interactions energy: -547.144
where: short stacking energy: -248.416
Base-Backbone interact. energy: -0.699
local terms energy: -264.211433
where:
bonds (distance) C4'-P energy: -47.132
bonds (distance) P-C4' energy: -48.267
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: -68.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -793.072586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.072586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.072586 (E_RNA)
where:
Base-Base interactions energy: -530.301
where: short stacking energy: -234.836
Base-Backbone interact. energy: -2.696
local terms energy: -260.075258
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -43.891
flat angles C4'-P-C4' energy: -54.086
flat angles P-C4'-P energy: -44.247
tors. eta vs tors. theta energy: -72.351
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -811.386922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.386922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.386922 (E_RNA)
where:
Base-Base interactions energy: -557.361
where: short stacking energy: -220.675
Base-Backbone interact. energy: 0.581
local terms energy: -254.606580
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -59.097
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -65.896
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: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -728.931149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.931149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.931149 (E_RNA)
where:
Base-Base interactions energy: -497.842
where: short stacking energy: -196.443
Base-Backbone interact. energy: -0.256
local terms energy: -230.833056
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: -63.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -560.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.059390 (E_RNA)
where:
Base-Base interactions energy: -360.302
where: short stacking energy: -149.782
Base-Backbone interact. energy: 5.822
local terms energy: -205.578897
where:
bonds (distance) C4'-P energy: -46.463
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -41.596
flat angles P-C4'-P energy: -32.069
tors. eta vs tors. theta energy: -38.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -278.663377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.663377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.663377 (E_RNA)
where:
Base-Base interactions energy: -121.627
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.430
local terms energy: -156.606773
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -42.768
flat angles C4'-P-C4' energy: -42.906
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -1.449
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: 405
Temperature: 0.900000
Total energy: -977.031954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.031954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.031954 (E_RNA)
where:
Base-Base interactions energy: -684.037
where: short stacking energy: -298.806
Base-Backbone interact. energy: 1.485
local terms energy: -294.479873
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -59.201
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -88.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -955.581235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.581235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.581235 (E_RNA)
where:
Base-Base interactions energy: -666.567
where: short stacking energy: -275.815
Base-Backbone interact. energy: -1.357
local terms energy: -287.656800
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -86.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -912.089511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.089511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.089511 (E_RNA)
where:
Base-Base interactions energy: -654.256
where: short stacking energy: -258.980
Base-Backbone interact. energy: -1.442
local terms energy: -256.391652
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -57.568
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -69.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -813.123137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.123137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.123137 (E_RNA)
where:
Base-Base interactions energy: -552.352
where: short stacking energy: -240.781
Base-Backbone interact. energy: -1.029
local terms energy: -259.742514
where:
bonds (distance) C4'-P energy: -48.411
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -62.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -832.271671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.271671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.271671 (E_RNA)
where:
Base-Base interactions energy: -573.938
where: short stacking energy: -247.356
Base-Backbone interact. energy: -0.798
local terms energy: -257.535604
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -67.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -797.749886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.749886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.749886 (E_RNA)
where:
Base-Base interactions energy: -548.237
where: short stacking energy: -238.546
Base-Backbone interact. energy: -1.491
local terms energy: -248.021982
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -52.326
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -66.625
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: 405
Temperature: 1.200000
Total energy: -775.744786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.744786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.744786 (E_RNA)
where:
Base-Base interactions energy: -547.843
where: short stacking energy: -232.164
Base-Backbone interact. energy: -1.451
local terms energy: -226.450644
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -48.817
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -58.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -741.644109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.644109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.644109 (E_RNA)
where:
Base-Base interactions energy: -519.352
where: short stacking energy: -218.295
Base-Backbone interact. energy: -1.759
local terms energy: -220.532253
where:
bonds (distance) C4'-P energy: -37.889
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -61.203
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: 405
Temperature: 1.300000
Total energy: -592.407280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.407280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.407280 (E_RNA)
where:
Base-Base interactions energy: -393.079
where: short stacking energy: -182.444
Base-Backbone interact. energy: -1.631
local terms energy: -197.696949
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -240.747644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.747644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.747644 (E_RNA)
where:
Base-Base interactions energy: -85.556
where: short stacking energy: -50.734
Base-Backbone interact. energy: -1.909
local terms energy: -153.282842
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -48.720
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: 12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -987.967701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.967701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.967701 (E_RNA)
where:
Base-Base interactions energy: -691.152
where: short stacking energy: -305.386
Base-Backbone interact. energy: -0.614
local terms energy: -296.200887
where:
bonds (distance) C4'-P energy: -52.925
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -65.632
flat angles P-C4'-P energy: -38.586
tors. eta vs tors. theta energy: -90.247
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: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -942.091196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.091196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.091196 (E_RNA)
where:
Base-Base interactions energy: -640.362
where: short stacking energy: -285.955
Base-Backbone interact. energy: -2.194
local terms energy: -299.534665
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -54.789
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -89.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -926.711878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.711878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.711878 (E_RNA)
where:
Base-Base interactions energy: -662.578
where: short stacking energy: -273.046
Base-Backbone interact. energy: -0.824
local terms energy: -263.309722
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -73.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -825.475008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.475008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.475008 (E_RNA)
where:
Base-Base interactions energy: -568.126
where: short stacking energy: -270.203
Base-Backbone interact. energy: -1.580
local terms energy: -255.768730
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -59.808
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: -74.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -841.455040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.455040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.455040 (E_RNA)
where:
Base-Base interactions energy: -599.194
where: short stacking energy: -242.869
Base-Backbone interact. energy: -1.414
local terms energy: -240.847128
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -49.965
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -64.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -789.973666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.973666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.973666 (E_RNA)
where:
Base-Base interactions energy: -558.541
where: short stacking energy: -238.770
Base-Backbone interact. energy: -0.849
local terms energy: -230.583131
where:
bonds (distance) C4'-P energy: -37.399
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -38.231
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -71.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -765.036581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.036581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.036581 (E_RNA)
where:
Base-Base interactions energy: -522.506
where: short stacking energy: -221.764
Base-Backbone interact. energy: -1.371
local terms energy: -241.159736
where:
bonds (distance) C4'-P energy: -44.381
bonds (distance) P-C4' energy: -43.113
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -61.183
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -765.887517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.887517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.887517 (E_RNA)
where:
Base-Base interactions energy: -546.462
where: short stacking energy: -224.314
Base-Backbone interact. energy: -0.482
local terms energy: -218.944289
where:
bonds (distance) C4'-P energy: -43.911
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -57.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -535.961528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.961528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.961528 (E_RNA)
where:
Base-Base interactions energy: -349.150
where: short stacking energy: -149.505
Base-Backbone interact. energy: -1.724
local terms energy: -185.087299
where:
bonds (distance) C4'-P energy: -45.986
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -26.423
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: 406
Temperature: 1.350000
Total energy: -226.739226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739226 (E_RNA)
where:
Base-Base interactions energy: -81.020
where: short stacking energy: -71.355
Base-Backbone interact. energy: -2.909
local terms energy: -142.809880
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -42.952
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: 2.148
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: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -988.587067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.587067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.587067 (E_RNA)
where:
Base-Base interactions energy: -688.908
where: short stacking energy: -301.891
Base-Backbone interact. energy: -0.488
local terms energy: -299.190394
where:
bonds (distance) C4'-P energy: -57.620
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -84.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -955.458281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.458281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.458281 (E_RNA)
where:
Base-Base interactions energy: -655.622
where: short stacking energy: -282.731
Base-Backbone interact. energy: -3.526
local terms energy: -296.310699
where:
bonds (distance) C4'-P energy: -50.331
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -91.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -941.667253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.667253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.667253 (E_RNA)
where:
Base-Base interactions energy: -651.616
where: short stacking energy: -272.377
Base-Backbone interact. energy: 0.216
local terms energy: -290.267457
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -79.167
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -811.342803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.342803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.342803 (E_RNA)
where:
Base-Base interactions energy: -549.051
where: short stacking energy: -247.773
Base-Backbone interact. energy: -0.238
local terms energy: -262.054374
where:
bonds (distance) C4'-P energy: -42.392
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -57.166
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: -72.485
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: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -833.576654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.576654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.576654 (E_RNA)
where:
Base-Base interactions energy: -585.387
where: short stacking energy: -237.506
Base-Backbone interact. energy: -0.308
local terms energy: -247.882088
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -56.956
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -70.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -814.728812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.728812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.728812 (E_RNA)
where:
Base-Base interactions energy: -561.474
where: short stacking energy: -247.530
Base-Backbone interact. energy: 0.097
local terms energy: -253.351516
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -69.152
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: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -770.266952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.266952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.266952 (E_RNA)
where:
Base-Base interactions energy: -540.960
where: short stacking energy: -231.094
Base-Backbone interact. energy: 0.420
local terms energy: -229.727453
where:
bonds (distance) C4'-P energy: -45.509
bonds (distance) P-C4' energy: -49.093
flat angles C4'-P-C4' energy: -46.233
flat angles P-C4'-P energy: -26.334
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: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -798.519876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.519876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.519876 (E_RNA)
where:
Base-Base interactions energy: -554.596
where: short stacking energy: -226.509
Base-Backbone interact. energy: 0.855
local terms energy: -244.778571
where:
bonds (distance) C4'-P energy: -42.846
bonds (distance) P-C4' energy: -49.858
flat angles C4'-P-C4' energy: -50.883
flat angles P-C4'-P energy: -34.229
tors. eta vs tors. theta energy: -66.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -633.008264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.008264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.008264 (E_RNA)
where:
Base-Base interactions energy: -417.522
where: short stacking energy: -185.201
Base-Backbone interact. energy: 0.251
local terms energy: -215.736670
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -56.341
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -238.574466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.574466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.574466 (E_RNA)
where:
Base-Base interactions energy: -98.746
where: short stacking energy: -64.461
Base-Backbone interact. energy: 2.384
local terms energy: -142.212332
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -46.815
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: 8.413
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -973.680912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.680912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.680912 (E_RNA)
where:
Base-Base interactions energy: -673.274
where: short stacking energy: -277.006
Base-Backbone interact. energy: -0.893
local terms energy: -299.513429
where:
bonds (distance) C4'-P energy: -58.057
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -87.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -967.811772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.811772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.811772 (E_RNA)
where:
Base-Base interactions energy: -670.545
where: short stacking energy: -290.133
Base-Backbone interact. energy: -0.553
local terms energy: -296.712950
where:
bonds (distance) C4'-P energy: -58.054
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -59.967
flat angles P-C4'-P energy: -41.049
tors. eta vs tors. theta energy: -88.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -927.784879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.784879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.784879 (E_RNA)
where:
Base-Base interactions energy: -637.608
where: short stacking energy: -280.842
Base-Backbone interact. energy: -2.098
local terms energy: -288.078540
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -81.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -816.904984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.904984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.904984 (E_RNA)
where:
Base-Base interactions energy: -540.317
where: short stacking energy: -252.394
Base-Backbone interact. energy: -1.214
local terms energy: -275.374129
where:
bonds (distance) C4'-P energy: -50.278
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -79.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -803.167759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.167759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.167759 (E_RNA)
where:
Base-Base interactions energy: -565.264
where: short stacking energy: -249.254
Base-Backbone interact. energy: -0.847
local terms energy: -237.056356
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -50.578
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -67.720
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -813.050837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.050837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.050837 (E_RNA)
where:
Base-Base interactions energy: -559.022
where: short stacking energy: -233.066
Base-Backbone interact. energy: 0.473
local terms energy: -254.501304
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -50.280
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -803.904020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.904020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.904020 (E_RNA)
where:
Base-Base interactions energy: -566.841
where: short stacking energy: -222.153
Base-Backbone interact. energy: 1.787
local terms energy: -238.850836
where:
bonds (distance) C4'-P energy: -44.939
bonds (distance) P-C4' energy: -45.952
flat angles C4'-P-C4' energy: -48.213
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -62.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -712.376871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.376871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.376871 (E_RNA)
where:
Base-Base interactions energy: -488.708
where: short stacking energy: -213.108
Base-Backbone interact. energy: -1.343
local terms energy: -222.325818
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -40.792
flat angles C4'-P-C4' energy: -42.309
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: -60.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -675.435110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.435110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.435110 (E_RNA)
where:
Base-Base interactions energy: -466.533
where: short stacking energy: -225.276
Base-Backbone interact. energy: -0.421
local terms energy: -208.481952
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -50.690
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -61.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -222.727445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.727445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.727445 (E_RNA)
where:
Base-Base interactions energy: -78.856
where: short stacking energy: -66.616
Base-Backbone interact. energy: 1.911
local terms energy: -145.782375
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: 3.860
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -979.878129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.878129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.878129 (E_RNA)
where:
Base-Base interactions energy: -670.618
where: short stacking energy: -300.123
Base-Backbone interact. energy: -2.022
local terms energy: -307.238337
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -58.692
flat angles C4'-P-C4' energy: -62.796
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -90.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -954.861928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.861928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.861928 (E_RNA)
where:
Base-Base interactions energy: -659.991
where: short stacking energy: -284.660
Base-Backbone interact. energy: -1.850
local terms energy: -293.021528
where:
bonds (distance) C4'-P energy: -53.450
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -88.142
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -929.011071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.011071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.011071 (E_RNA)
where:
Base-Base interactions energy: -648.690
where: short stacking energy: -277.329
Base-Backbone interact. energy: -0.218
local terms energy: -280.103844
where:
bonds (distance) C4'-P energy: -47.158
bonds (distance) P-C4' energy: -51.784
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -85.300
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: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -832.741816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.741816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.741816 (E_RNA)
where:
Base-Base interactions energy: -566.126
where: short stacking energy: -238.501
Base-Backbone interact. energy: -0.199
local terms energy: -266.416520
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -51.766
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -70.387
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: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -797.650466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.650466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.650466 (E_RNA)
where:
Base-Base interactions energy: -536.210
where: short stacking energy: -226.967
Base-Backbone interact. energy: 0.320
local terms energy: -261.760713
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -65.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -822.138145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.138145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.138145 (E_RNA)
where:
Base-Base interactions energy: -574.398
where: short stacking energy: -246.147
Base-Backbone interact. energy: -1.092
local terms energy: -246.647310
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -69.646
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: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -785.538829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.538829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.538829 (E_RNA)
where:
Base-Base interactions energy: -541.081
where: short stacking energy: -224.069
Base-Backbone interact. energy: -0.457
local terms energy: -244.000899
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -65.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -632.835695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.835695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.835695 (E_RNA)
where:
Base-Base interactions energy: -395.737
where: short stacking energy: -179.117
Base-Backbone interact. energy: -1.837
local terms energy: -235.261258
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -45.046
flat angles C4'-P-C4' energy: -54.341
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -40.584
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: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -681.635543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.635543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.635543 (E_RNA)
where:
Base-Base interactions energy: -482.241
where: short stacking energy: -217.849
Base-Backbone interact. energy: 1.968
local terms energy: -201.362854
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -37.063
flat angles C4'-P-C4' energy: -43.541
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -54.462
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: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -219.255620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.255620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.255620 (E_RNA)
where:
Base-Base interactions energy: -74.940
where: short stacking energy: -73.622
Base-Backbone interact. energy: 0.888
local terms energy: -145.203105
where:
bonds (distance) C4'-P energy: -45.824
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -36.797
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -971.387970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.387970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.387970 (E_RNA)
where:
Base-Base interactions energy: -669.625
where: short stacking energy: -295.530
Base-Backbone interact. energy: -1.031
local terms energy: -300.732209
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -88.288
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: 410
Temperature: 0.950000
Total energy: -968.551308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.551308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.551308 (E_RNA)
where:
Base-Base interactions energy: -680.983
where: short stacking energy: -292.266
Base-Backbone interact. energy: -1.653
local terms energy: -285.914502
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -56.896
flat angles C4'-P-C4' energy: -58.569
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -81.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -941.708818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.708818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.708818 (E_RNA)
where:
Base-Base interactions energy: -654.377
where: short stacking energy: -285.239
Base-Backbone interact. energy: 0.737
local terms energy: -288.069050
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -40.740
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -85.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -844.816149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.816149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.816149 (E_RNA)
where:
Base-Base interactions energy: -577.740
where: short stacking energy: -253.582
Base-Backbone interact. energy: -1.142
local terms energy: -265.934048
where:
bonds (distance) C4'-P energy: -51.455
bonds (distance) P-C4' energy: -46.172
flat angles C4'-P-C4' energy: -55.349
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -70.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -841.938647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.938647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.938647 (E_RNA)
where:
Base-Base interactions energy: -575.061
where: short stacking energy: -252.373
Base-Backbone interact. energy: 2.125
local terms energy: -269.002969
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -45.304
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -75.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -768.746380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.746380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.746380 (E_RNA)
where:
Base-Base interactions energy: -532.011
where: short stacking energy: -221.164
Base-Backbone interact. energy: -0.493
local terms energy: -236.243126
where:
bonds (distance) C4'-P energy: -46.320
bonds (distance) P-C4' energy: -48.146
flat angles C4'-P-C4' energy: -50.862
flat angles P-C4'-P energy: -31.161
tors. eta vs tors. theta energy: -59.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -775.110633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.110633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.110633 (E_RNA)
where:
Base-Base interactions energy: -536.339
where: short stacking energy: -224.402
Base-Backbone interact. energy: -0.836
local terms energy: -237.935742
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -46.701
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -36.609
tors. eta vs tors. theta energy: -57.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -653.899515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.899515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.899515 (E_RNA)
where:
Base-Base interactions energy: -434.081
where: short stacking energy: -193.614
Base-Backbone interact. energy: -0.895
local terms energy: -218.924029
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -50.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -638.120146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.120146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.120146 (E_RNA)
where:
Base-Base interactions energy: -408.626
where: short stacking energy: -176.376
Base-Backbone interact. energy: 1.019
local terms energy: -230.512798
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -52.191
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -47.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -229.605670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.605670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.605670 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.817
local terms energy: -143.521797
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: 6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -969.778837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.778837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.778837 (E_RNA)
where:
Base-Base interactions energy: -674.822
where: short stacking energy: -304.372
Base-Backbone interact. energy: -1.009
local terms energy: -293.947436
where:
bonds (distance) C4'-P energy: -51.898
bonds (distance) P-C4' energy: -54.897
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -87.314
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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -950.187981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.187981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.187981 (E_RNA)
where:
Base-Base interactions energy: -676.582
where: short stacking energy: -282.017
Base-Backbone interact. energy: -1.091
local terms energy: -272.514643
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -83.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -964.191899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.191899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.191899 (E_RNA)
where:
Base-Base interactions energy: -664.939
where: short stacking energy: -287.113
Base-Backbone interact. energy: -0.548
local terms energy: -298.704890
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -58.810
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -84.088
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: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -879.571864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.571864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.571864 (E_RNA)
where:
Base-Base interactions energy: -607.117
where: short stacking energy: -253.979
Base-Backbone interact. energy: -0.379
local terms energy: -272.076322
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -41.494
tors. eta vs tors. theta energy: -83.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -820.343727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.343727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.343727 (E_RNA)
where:
Base-Base interactions energy: -560.747
where: short stacking energy: -251.247
Base-Backbone interact. energy: -1.874
local terms energy: -257.723393
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -71.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -811.640629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.640629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.640629 (E_RNA)
where:
Base-Base interactions energy: -548.153
where: short stacking energy: -235.811
Base-Backbone interact. energy: -1.039
local terms energy: -262.448089
where:
bonds (distance) C4'-P energy: -43.558
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -70.370
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: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -770.617138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.617138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.617138 (E_RNA)
where:
Base-Base interactions energy: -521.151
where: short stacking energy: -214.975
Base-Backbone interact. energy: -0.155
local terms energy: -249.310389
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -52.382
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -67.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -681.233313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.233313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.233313 (E_RNA)
where:
Base-Base interactions energy: -474.492
where: short stacking energy: -205.227
Base-Backbone interact. energy: -1.176
local terms energy: -205.565128
where:
bonds (distance) C4'-P energy: -35.324
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -53.743
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: 411
Temperature: 1.300000
Total energy: -613.511874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.511874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.511874 (E_RNA)
where:
Base-Base interactions energy: -408.108
where: short stacking energy: -176.882
Base-Backbone interact. energy: -0.908
local terms energy: -204.495891
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -40.667
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -278.771726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.771726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.771726 (E_RNA)
where:
Base-Base interactions energy: -138.939
where: short stacking energy: -79.938
Base-Backbone interact. energy: -1.078
local terms energy: -138.754646
where:
bonds (distance) C4'-P energy: -33.275
bonds (distance) P-C4' energy: -43.927
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -9.333
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -960.088225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.088225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.088225 (E_RNA)
where:
Base-Base interactions energy: -667.667
where: short stacking energy: -298.748
Base-Backbone interact. energy: -1.096
local terms energy: -291.324898
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -55.270
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -84.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -953.167965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.167965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.167965 (E_RNA)
where:
Base-Base interactions energy: -664.925
where: short stacking energy: -283.824
Base-Backbone interact. energy: -1.132
local terms energy: -287.110885
where:
bonds (distance) C4'-P energy: -54.464
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -91.818
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -925.512604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.512604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.512604 (E_RNA)
where:
Base-Base interactions energy: -661.257
where: short stacking energy: -272.433
Base-Backbone interact. energy: -0.622
local terms energy: -263.632863
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -77.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -906.630800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.630800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.630800 (E_RNA)
where:
Base-Base interactions energy: -622.230
where: short stacking energy: -270.512
Base-Backbone interact. energy: -0.499
local terms energy: -283.902535
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -77.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -810.410278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.410278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.410278 (E_RNA)
where:
Base-Base interactions energy: -560.455
where: short stacking energy: -259.234
Base-Backbone interact. energy: -0.499
local terms energy: -249.455926
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -51.642
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -71.550
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: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -831.301123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.301123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.301123 (E_RNA)
where:
Base-Base interactions energy: -574.913
where: short stacking energy: -247.273
Base-Backbone interact. energy: 0.397
local terms energy: -256.785637
where:
bonds (distance) C4'-P energy: -49.868
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -36.355
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: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -769.450267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.450267 (E_RNA)
where:
Base-Base interactions energy: -524.025
where: short stacking energy: -221.500
Base-Backbone interact. energy: -0.125
local terms energy: -245.300423
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -64.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -665.638554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.638554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.638554 (E_RNA)
where:
Base-Base interactions energy: -438.059
where: short stacking energy: -196.854
Base-Backbone interact. energy: -0.098
local terms energy: -227.481828
where:
bonds (distance) C4'-P energy: -44.666
bonds (distance) P-C4' energy: -51.466
flat angles C4'-P-C4' energy: -49.599
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -53.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -671.054964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.054964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.054964 (E_RNA)
where:
Base-Base interactions energy: -460.065
where: short stacking energy: -208.496
Base-Backbone interact. energy: -1.048
local terms energy: -209.942032
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -53.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -225.696730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.696730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.696730 (E_RNA)
where:
Base-Base interactions energy: -83.262
where: short stacking energy: -67.278
Base-Backbone interact. energy: 1.734
local terms energy: -144.168117
where:
bonds (distance) C4'-P energy: -46.381
bonds (distance) P-C4' energy: -42.033
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: 2.658
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: 413
Temperature: 0.900000
Total energy: -972.456996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.456996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.456996 (E_RNA)
where:
Base-Base interactions energy: -668.767
where: short stacking energy: -300.901
Base-Backbone interact. energy: -0.506
local terms energy: -303.184925
where:
bonds (distance) C4'-P energy: -53.483
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -926.556530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.556530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.556530 (E_RNA)
where:
Base-Base interactions energy: -649.261
where: short stacking energy: -265.084
Base-Backbone interact. energy: -0.483
local terms energy: -276.812597
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -52.846
flat angles C4'-P-C4' energy: -57.972
flat angles P-C4'-P energy: -35.013
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: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -946.511293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.511293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.511293 (E_RNA)
where:
Base-Base interactions energy: -654.149
where: short stacking energy: -285.410
Base-Backbone interact. energy: -0.508
local terms energy: -291.854254
where:
bonds (distance) C4'-P energy: -59.857
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -42.978
tors. eta vs tors. theta energy: -82.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -900.104240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.104240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.104240 (E_RNA)
where:
Base-Base interactions energy: -639.118
where: short stacking energy: -263.218
Base-Backbone interact. energy: -2.074
local terms energy: -258.912718
where:
bonds (distance) C4'-P energy: -49.778
bonds (distance) P-C4' energy: -41.553
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: -74.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -823.873448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.873448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.873448 (E_RNA)
where:
Base-Base interactions energy: -565.990
where: short stacking energy: -244.831
Base-Backbone interact. energy: -0.035
local terms energy: -257.848400
where:
bonds (distance) C4'-P energy: -49.716
bonds (distance) P-C4' energy: -50.068
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -68.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -812.927028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.927028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.927028 (E_RNA)
where:
Base-Base interactions energy: -557.507
where: short stacking energy: -241.011
Base-Backbone interact. energy: 0.254
local terms energy: -255.673875
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -49.485
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: -69.549
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: 413
Temperature: 1.200000
Total energy: -782.428667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.428667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.428667 (E_RNA)
where:
Base-Base interactions energy: -553.081
where: short stacking energy: -228.511
Base-Backbone interact. energy: -0.304
local terms energy: -229.044245
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -41.308
flat angles C4'-P-C4' energy: -41.943
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -71.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -675.488428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.488428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.488428 (E_RNA)
where:
Base-Base interactions energy: -441.280
where: short stacking energy: -204.436
Base-Backbone interact. energy: 0.570
local terms energy: -234.778490
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -56.374
flat angles C4'-P-C4' energy: -50.169
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -57.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -667.488834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.488834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.488834 (E_RNA)
where:
Base-Base interactions energy: -446.872
where: short stacking energy: -211.625
Base-Backbone interact. energy: -0.438
local terms energy: -220.178555
where:
bonds (distance) C4'-P energy: -39.596
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -50.301
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: -54.441
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: 413
Temperature: 1.350000
Total energy: -209.357267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.357267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.357267 (E_RNA)
where:
Base-Base interactions energy: -87.809
where: short stacking energy: -81.726
Base-Backbone interact. energy: -1.475
local terms energy: -120.073848
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: 9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -971.846846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.846846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.846846 (E_RNA)
where:
Base-Base interactions energy: -672.752
where: short stacking energy: -302.524
Base-Backbone interact. energy: -0.960
local terms energy: -298.134343
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -55.016
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -43.468
tors. eta vs tors. theta energy: -92.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -922.653891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.653891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.653891 (E_RNA)
where:
Base-Base interactions energy: -658.451
where: short stacking energy: -274.909
Base-Backbone interact. energy: 3.534
local terms energy: -267.736868
where:
bonds (distance) C4'-P energy: -49.771
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -37.091
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: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -916.925292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.925292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.925292 (E_RNA)
where:
Base-Base interactions energy: -637.416
where: short stacking energy: -269.755
Base-Backbone interact. energy: 0.177
local terms energy: -279.686995
where:
bonds (distance) C4'-P energy: -43.803
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -82.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -902.403404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.403404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.403404 (E_RNA)
where:
Base-Base interactions energy: -622.743
where: short stacking energy: -269.017
Base-Backbone interact. energy: -1.213
local terms energy: -278.448321
where:
bonds (distance) C4'-P energy: -54.055
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -78.706
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: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -829.798155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.798155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.798155 (E_RNA)
where:
Base-Base interactions energy: -574.045
where: short stacking energy: -251.858
Base-Backbone interact. energy: 5.152
local terms energy: -260.904961
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -39.472
flat angles C4'-P-C4' energy: -58.476
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -73.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -810.218888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.218888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.218888 (E_RNA)
where:
Base-Base interactions energy: -553.836
where: short stacking energy: -251.601
Base-Backbone interact. energy: -0.510
local terms energy: -255.872347
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -51.509
flat angles C4'-P-C4' energy: -51.814
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -67.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -782.514310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.514310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.514310 (E_RNA)
where:
Base-Base interactions energy: -552.349
where: short stacking energy: -235.769
Base-Backbone interact. energy: -0.315
local terms energy: -229.850595
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -67.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -665.780443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.780443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.780443 (E_RNA)
where:
Base-Base interactions energy: -433.867
where: short stacking energy: -183.222
Base-Backbone interact. energy: -0.870
local terms energy: -231.042983
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -622.159969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.159969 (E_RNA)
where:
Base-Base interactions energy: -415.335
where: short stacking energy: -178.344
Base-Backbone interact. energy: -0.810
local terms energy: -206.015873
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: -45.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -222.005924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.005924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.005924 (E_RNA)
where:
Base-Base interactions energy: -81.677
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.119
local terms energy: -140.209923
where:
bonds (distance) C4'-P energy: -52.252
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: 0.292
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: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -959.528496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.528496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.528496 (E_RNA)
where:
Base-Base interactions energy: -670.861
where: short stacking energy: -278.972
Base-Backbone interact. energy: -1.360
local terms energy: -287.308260
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -60.080
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -83.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -936.787443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.787443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.787443 (E_RNA)
where:
Base-Base interactions energy: -646.119
where: short stacking energy: -271.406
Base-Backbone interact. energy: -0.904
local terms energy: -289.764446
where:
bonds (distance) C4'-P energy: -47.880
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -64.849
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -83.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -919.095776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.095776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.095776 (E_RNA)
where:
Base-Base interactions energy: -648.131
where: short stacking energy: -267.178
Base-Backbone interact. energy: -0.134
local terms energy: -270.831452
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -880.492892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.492892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.492892 (E_RNA)
where:
Base-Base interactions energy: -614.515
where: short stacking energy: -271.431
Base-Backbone interact. energy: -1.362
local terms energy: -264.615421
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -55.645
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -77.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -838.255930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.255930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.255930 (E_RNA)
where:
Base-Base interactions energy: -583.557
where: short stacking energy: -248.590
Base-Backbone interact. energy: 1.675
local terms energy: -256.373991
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -60.068
flat angles P-C4'-P energy: -33.155
tors. eta vs tors. theta energy: -66.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -764.173446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.173446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.173446 (E_RNA)
where:
Base-Base interactions energy: -521.809
where: short stacking energy: -218.308
Base-Backbone interact. energy: 0.365
local terms energy: -242.729436
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -49.418
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -54.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -760.721167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.721167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.721167 (E_RNA)
where:
Base-Base interactions energy: -524.895
where: short stacking energy: -215.795
Base-Backbone interact. energy: -0.575
local terms energy: -235.251742
where:
bonds (distance) C4'-P energy: -41.910
bonds (distance) P-C4' energy: -40.594
flat angles C4'-P-C4' energy: -56.020
flat angles P-C4'-P energy: -35.681
tors. eta vs tors. theta energy: -61.047
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: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -631.214386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.214386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.214386 (E_RNA)
where:
Base-Base interactions energy: -426.937
where: short stacking energy: -169.225
Base-Backbone interact. energy: 4.153
local terms energy: -208.430397
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -43.803
flat angles C4'-P-C4' energy: -51.514
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -36.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -566.997198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.997198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.997198 (E_RNA)
where:
Base-Base interactions energy: -386.828
where: short stacking energy: -167.808
Base-Backbone interact. energy: 2.841
local terms energy: -183.010399
where:
bonds (distance) C4'-P energy: -40.075
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -229.167163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.167163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.167163 (E_RNA)
where:
Base-Base interactions energy: -99.678
where: short stacking energy: -89.598
Base-Backbone interact. energy: 5.196
local terms energy: -134.685217
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -962.409702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.409702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.409702 (E_RNA)
where:
Base-Base interactions energy: -667.700
where: short stacking energy: -290.503
Base-Backbone interact. energy: 3.772
local terms energy: -298.482119
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -41.105
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -47.961
tors. eta vs tors. theta energy: -91.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -941.188021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.188021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.188021 (E_RNA)
where:
Base-Base interactions energy: -655.484
where: short stacking energy: -283.517
Base-Backbone interact. energy: -0.961
local terms energy: -284.742530
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -917.728606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.728606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.728606 (E_RNA)
where:
Base-Base interactions energy: -644.671
where: short stacking energy: -275.933
Base-Backbone interact. energy: -0.890
local terms energy: -272.167694
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -75.597
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: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -878.787838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.787838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.787838 (E_RNA)
where:
Base-Base interactions energy: -617.314
where: short stacking energy: -266.986
Base-Backbone interact. energy: 0.652
local terms energy: -262.126029
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -37.023
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: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -849.022618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.022618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.022618 (E_RNA)
where:
Base-Base interactions energy: -580.606
where: short stacking energy: -255.921
Base-Backbone interact. energy: 1.068
local terms energy: -269.484439
where:
bonds (distance) C4'-P energy: -52.394
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -60.994
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -71.003
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: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -797.752096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.752096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.752096 (E_RNA)
where:
Base-Base interactions energy: -551.415
where: short stacking energy: -234.713
Base-Backbone interact. energy: 0.126
local terms energy: -246.463762
where:
bonds (distance) C4'-P energy: -49.284
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -63.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -766.774430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.774430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.774430 (E_RNA)
where:
Base-Base interactions energy: -530.838
where: short stacking energy: -206.915
Base-Backbone interact. energy: -0.986
local terms energy: -234.950158
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -56.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -687.981952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.981952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.981952 (E_RNA)
where:
Base-Base interactions energy: -471.496
where: short stacking energy: -214.319
Base-Backbone interact. energy: 1.668
local terms energy: -218.154273
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -51.444
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -29.678
tors. eta vs tors. theta energy: -53.840
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: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -572.056051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.056051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.056051 (E_RNA)
where:
Base-Base interactions energy: -384.122
where: short stacking energy: -175.610
Base-Backbone interact. energy: -0.173
local terms energy: -187.761861
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -44.955
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -35.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -225.312098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.312098 (E_RNA)
where:
Base-Base interactions energy: -82.454
where: short stacking energy: -81.638
Base-Backbone interact. energy: -0.664
local terms energy: -142.194000
where:
bonds (distance) C4'-P energy: -41.712
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -970.804105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.804105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.804105 (E_RNA)
where:
Base-Base interactions energy: -673.594
where: short stacking energy: -284.673
Base-Backbone interact. energy: -1.766
local terms energy: -295.443445
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -53.442
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -84.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -941.796710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.796710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.796710 (E_RNA)
where:
Base-Base interactions energy: -653.699
where: short stacking energy: -280.637
Base-Backbone interact. energy: -2.686
local terms energy: -285.411600
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -82.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -902.715443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.715443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.715443 (E_RNA)
where:
Base-Base interactions energy: -619.804
where: short stacking energy: -259.391
Base-Backbone interact. energy: 0.706
local terms energy: -283.617771
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -61.796
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -73.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -902.180427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.180427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.180427 (E_RNA)
where:
Base-Base interactions energy: -625.954
where: short stacking energy: -270.797
Base-Backbone interact. energy: -0.845
local terms energy: -275.381923
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -78.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -797.545157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.545157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.545157 (E_RNA)
where:
Base-Base interactions energy: -547.957
where: short stacking energy: -234.461
Base-Backbone interact. energy: 3.030
local terms energy: -252.618188
where:
bonds (distance) C4'-P energy: -50.630
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -53.136
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: -67.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -791.093582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.093582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.093582 (E_RNA)
where:
Base-Base interactions energy: -556.525
where: short stacking energy: -249.361
Base-Backbone interact. energy: -0.244
local terms energy: -234.324722
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -67.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -787.029722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.029722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.029722 (E_RNA)
where:
Base-Base interactions energy: -532.330
where: short stacking energy: -239.194
Base-Backbone interact. energy: -0.903
local terms energy: -253.796508
where:
bonds (distance) C4'-P energy: -42.486
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -68.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -679.648150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.648150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.648150 (E_RNA)
where:
Base-Base interactions energy: -445.282
where: short stacking energy: -198.571
Base-Backbone interact. energy: -0.928
local terms energy: -233.438199
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -38.853
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -55.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -572.322737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.322737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.322737 (E_RNA)
where:
Base-Base interactions energy: -369.199
where: short stacking energy: -165.576
Base-Backbone interact. energy: 0.397
local terms energy: -203.520258
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -38.869
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -41.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -219.978003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.978003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.978003 (E_RNA)
where:
Base-Base interactions energy: -88.053
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.791
local terms energy: -131.133837
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: 13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -958.815794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.815794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.815794 (E_RNA)
where:
Base-Base interactions energy: -661.834
where: short stacking energy: -292.469
Base-Backbone interact. energy: -0.672
local terms energy: -296.309547
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -90.243
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -941.485642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.485642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.485642 (E_RNA)
where:
Base-Base interactions energy: -644.378
where: short stacking energy: -283.535
Base-Backbone interact. energy: 0.434
local terms energy: -297.541191
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -47.346
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -44.512
tors. eta vs tors. theta energy: -87.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -937.579764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.579764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.579764 (E_RNA)
where:
Base-Base interactions energy: -650.497
where: short stacking energy: -279.856
Base-Backbone interact. energy: -0.633
local terms energy: -286.449943
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -63.484
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -84.862
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: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -893.220205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.220205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.220205 (E_RNA)
where:
Base-Base interactions energy: -628.723
where: short stacking energy: -273.183
Base-Backbone interact. energy: -0.135
local terms energy: -264.362525
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -46.653
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -77.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -812.768174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.768174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.768174 (E_RNA)
where:
Base-Base interactions energy: -543.198
where: short stacking energy: -242.903
Base-Backbone interact. energy: -0.369
local terms energy: -269.200929
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -74.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -817.835054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.835054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.835054 (E_RNA)
where:
Base-Base interactions energy: -563.124
where: short stacking energy: -249.807
Base-Backbone interact. energy: 0.041
local terms energy: -254.752357
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -53.879
flat angles P-C4'-P energy: -34.794
tors. eta vs tors. theta energy: -71.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -761.376865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.376865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.376865 (E_RNA)
where:
Base-Base interactions energy: -521.903
where: short stacking energy: -222.573
Base-Backbone interact. energy: 0.495
local terms energy: -239.968685
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -46.414
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -58.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -668.789358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.789358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.789358 (E_RNA)
where:
Base-Base interactions energy: -466.329
where: short stacking energy: -204.943
Base-Backbone interact. energy: 1.387
local terms energy: -203.847851
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -47.597
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -50.099
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: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -577.562958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.562958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.562958 (E_RNA)
where:
Base-Base interactions energy: -371.321
where: short stacking energy: -167.237
Base-Backbone interact. energy: -0.478
local terms energy: -205.764302
where:
bonds (distance) C4'-P energy: -47.059
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -47.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -228.631063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.631063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.631063 (E_RNA)
where:
Base-Base interactions energy: -80.504
where: short stacking energy: -64.066
Base-Backbone interact. energy: 1.860
local terms energy: -149.987442
where:
bonds (distance) C4'-P energy: -40.500
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -967.212370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.212370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.212370 (E_RNA)
where:
Base-Base interactions energy: -676.855
where: short stacking energy: -279.431
Base-Backbone interact. energy: -1.625
local terms energy: -288.732320
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -61.316
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -83.857
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: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -932.301423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.301423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.301423 (E_RNA)
where:
Base-Base interactions energy: -640.364
where: short stacking energy: -290.460
Base-Backbone interact. energy: -0.212
local terms energy: -291.724805
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -52.541
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -86.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -931.735065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.735065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.735065 (E_RNA)
where:
Base-Base interactions energy: -652.538
where: short stacking energy: -279.588
Base-Backbone interact. energy: -1.103
local terms energy: -278.093424
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -76.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -896.317471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.317471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.317471 (E_RNA)
where:
Base-Base interactions energy: -630.936
where: short stacking energy: -247.743
Base-Backbone interact. energy: -1.349
local terms energy: -264.031903
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -50.880
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -71.449
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: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -830.398144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.398144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.398144 (E_RNA)
where:
Base-Base interactions energy: -553.910
where: short stacking energy: -243.681
Base-Backbone interact. energy: -0.422
local terms energy: -276.065557
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -56.441
flat angles P-C4'-P energy: -39.131
tors. eta vs tors. theta energy: -75.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -808.437100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.437100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.437100 (E_RNA)
where:
Base-Base interactions energy: -568.170
where: short stacking energy: -235.944
Base-Backbone interact. energy: 2.433
local terms energy: -242.699397
where:
bonds (distance) C4'-P energy: -54.455
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -62.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -768.710919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.710919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.710919 (E_RNA)
where:
Base-Base interactions energy: -522.336
where: short stacking energy: -232.519
Base-Backbone interact. energy: -1.602
local terms energy: -244.773749
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -51.306
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -67.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -679.031353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.031353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.031353 (E_RNA)
where:
Base-Base interactions energy: -449.379
where: short stacking energy: -210.279
Base-Backbone interact. energy: 0.630
local terms energy: -230.282361
where:
bonds (distance) C4'-P energy: -52.996
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -579.821817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.821817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.821817 (E_RNA)
where:
Base-Base interactions energy: -382.934
where: short stacking energy: -187.886
Base-Backbone interact. energy: -0.855
local terms energy: -196.033237
where:
bonds (distance) C4'-P energy: -38.806
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -29.752
tors. eta vs tors. theta energy: -38.169
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: 419
Temperature: 1.350000
Total energy: -225.274352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.274352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.274352 (E_RNA)
where:
Base-Base interactions energy: -70.305
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.827
local terms energy: -154.142147
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -965.536715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.536715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.536715 (E_RNA)
where:
Base-Base interactions energy: -666.067
where: short stacking energy: -279.689
Base-Backbone interact. energy: -0.529
local terms energy: -298.940142
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -86.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -951.638937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.638937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.638937 (E_RNA)
where:
Base-Base interactions energy: -670.026
where: short stacking energy: -298.292
Base-Backbone interact. energy: -0.727
local terms energy: -280.886554
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -50.515
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -90.452
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -912.038468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.038468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.038468 (E_RNA)
where:
Base-Base interactions energy: -637.540
where: short stacking energy: -266.206
Base-Backbone interact. energy: -0.777
local terms energy: -273.721526
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -62.532
flat angles P-C4'-P energy: -42.373
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -914.741923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.741923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.741923 (E_RNA)
where:
Base-Base interactions energy: -646.535
where: short stacking energy: -273.496
Base-Backbone interact. energy: 1.850
local terms energy: -270.057236
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -56.845
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -76.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -849.490980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.490980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.490980 (E_RNA)
where:
Base-Base interactions energy: -589.768
where: short stacking energy: -250.808
Base-Backbone interact. energy: -0.643
local terms energy: -259.079476
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -73.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -808.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.667065 (E_RNA)
where:
Base-Base interactions energy: -547.483
where: short stacking energy: -246.398
Base-Backbone interact. energy: -2.592
local terms energy: -258.592042
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -49.109
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -72.738
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: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -762.175553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.175553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.175553 (E_RNA)
where:
Base-Base interactions energy: -519.577
where: short stacking energy: -223.314
Base-Backbone interact. energy: -0.580
local terms energy: -242.018517
where:
bonds (distance) C4'-P energy: -42.312
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -33.915
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: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -649.117571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.117571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.117571 (E_RNA)
where:
Base-Base interactions energy: -447.515
where: short stacking energy: -200.935
Base-Backbone interact. energy: -1.112
local terms energy: -200.490253
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -43.888
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -51.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -570.005351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.005351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.005351 (E_RNA)
where:
Base-Base interactions energy: -363.969
where: short stacking energy: -159.420
Base-Backbone interact. energy: 0.736
local terms energy: -206.772171
where:
bonds (distance) C4'-P energy: -45.512
bonds (distance) P-C4' energy: -50.685
flat angles C4'-P-C4' energy: -45.343
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -41.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -235.076988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.076988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.076988 (E_RNA)
where:
Base-Base interactions energy: -85.337
where: short stacking energy: -71.468
Base-Backbone interact. energy: -0.466
local terms energy: -149.274330
where:
bonds (distance) C4'-P energy: -33.095
bonds (distance) P-C4' energy: -52.312
flat angles C4'-P-C4' energy: -46.494
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: 1.413
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: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -978.216565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.216565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.216565 (E_RNA)
where:
Base-Base interactions energy: -681.149
where: short stacking energy: -299.519
Base-Backbone interact. energy: -1.520
local terms energy: -295.547977
where:
bonds (distance) C4'-P energy: -52.550
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -92.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -926.470962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.470962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.470962 (E_RNA)
where:
Base-Base interactions energy: -648.747
where: short stacking energy: -276.225
Base-Backbone interact. energy: -1.187
local terms energy: -276.536689
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -50.076
flat angles C4'-P-C4' energy: -58.578
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -76.806
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -923.211012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.211012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.211012 (E_RNA)
where:
Base-Base interactions energy: -647.328
where: short stacking energy: -278.483
Base-Backbone interact. energy: 1.195
local terms energy: -277.078388
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -62.872
flat angles P-C4'-P energy: -35.374
tors. eta vs tors. theta energy: -85.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -907.529345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.529345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.529345 (E_RNA)
where:
Base-Base interactions energy: -637.188
where: short stacking energy: -273.390
Base-Backbone interact. energy: -1.017
local terms energy: -269.323931
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -52.432
flat angles P-C4'-P energy: -34.107
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: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -813.791689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.791689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.791689 (E_RNA)
where:
Base-Base interactions energy: -571.197
where: short stacking energy: -248.496
Base-Backbone interact. energy: -1.035
local terms energy: -241.559901
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -49.719
flat angles C4'-P-C4' energy: -48.060
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -70.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -778.914199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.914199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.914199 (E_RNA)
where:
Base-Base interactions energy: -531.030
where: short stacking energy: -247.346
Base-Backbone interact. energy: -0.674
local terms energy: -247.210097
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: -68.983
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: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -779.992853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.992853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.992853 (E_RNA)
where:
Base-Base interactions energy: -529.493
where: short stacking energy: -221.823
Base-Backbone interact. energy: -0.383
local terms energy: -250.116838
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -42.977
flat angles C4'-P-C4' energy: -61.533
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -62.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -656.882640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.882640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.882640 (E_RNA)
where:
Base-Base interactions energy: -443.585
where: short stacking energy: -198.587
Base-Backbone interact. energy: 0.057
local terms energy: -213.354576
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -34.129
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: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -578.011945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.011945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.011945 (E_RNA)
where:
Base-Base interactions energy: -371.313
where: short stacking energy: -167.954
Base-Backbone interact. energy: -1.338
local terms energy: -205.361022
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -39.819
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: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -230.593138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.593138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.593138 (E_RNA)
where:
Base-Base interactions energy: -74.747
where: short stacking energy: -68.869
Base-Backbone interact. energy: -1.101
local terms energy: -154.744967
where:
bonds (distance) C4'-P energy: -48.145
bonds (distance) P-C4' energy: -45.977
flat angles C4'-P-C4' energy: -38.229
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -944.998781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.998781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.998781 (E_RNA)
where:
Base-Base interactions energy: -654.830
where: short stacking energy: -281.290
Base-Backbone interact. energy: -0.944
local terms energy: -289.225358
where:
bonds (distance) C4'-P energy: -44.406
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -60.520
flat angles P-C4'-P energy: -38.902
tors. eta vs tors. theta energy: -89.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -931.614780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.614780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.614780 (E_RNA)
where:
Base-Base interactions energy: -641.618
where: short stacking energy: -264.312
Base-Backbone interact. energy: 0.360
local terms energy: -290.357240
where:
bonds (distance) C4'-P energy: -52.885
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -61.765
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -80.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -922.593627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.593627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.593627 (E_RNA)
where:
Base-Base interactions energy: -646.676
where: short stacking energy: -272.717
Base-Backbone interact. energy: -1.684
local terms energy: -274.234531
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -908.747785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.747785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.747785 (E_RNA)
where:
Base-Base interactions energy: -628.114
where: short stacking energy: -263.652
Base-Backbone interact. energy: -0.963
local terms energy: -279.671081
where:
bonds (distance) C4'-P energy: -44.898
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -82.072
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: 422
Temperature: 1.100000
Total energy: -756.397886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.397886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.397886 (E_RNA)
where:
Base-Base interactions energy: -518.556
where: short stacking energy: -204.189
Base-Backbone interact. energy: 0.668
local terms energy: -238.510223
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -57.979
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -800.126065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.126065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.126065 (E_RNA)
where:
Base-Base interactions energy: -558.637
where: short stacking energy: -226.726
Base-Backbone interact. energy: -0.574
local terms energy: -240.914185
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -57.566
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -66.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -783.547769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.547769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.547769 (E_RNA)
where:
Base-Base interactions energy: -551.763
where: short stacking energy: -250.653
Base-Backbone interact. energy: 0.819
local terms energy: -232.603441
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -60.979
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -650.121231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.121231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.121231 (E_RNA)
where:
Base-Base interactions energy: -443.808
where: short stacking energy: -197.361
Base-Backbone interact. energy: 1.713
local terms energy: -208.025983
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -54.656
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: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -623.761019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.761019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.761019 (E_RNA)
where:
Base-Base interactions energy: -404.952
where: short stacking energy: -196.176
Base-Backbone interact. energy: -1.439
local terms energy: -217.369899
where:
bonds (distance) C4'-P energy: -43.328
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -53.016
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: 422
Temperature: 1.350000
Total energy: -228.344775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.344775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.344775 (E_RNA)
where:
Base-Base interactions energy: -77.911
where: short stacking energy: -54.660
Base-Backbone interact. energy: -1.570
local terms energy: -148.863621
where:
bonds (distance) C4'-P energy: -53.981
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -38.451
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: 13.519
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: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -960.012410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.012410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.012410 (E_RNA)
where:
Base-Base interactions energy: -664.766
where: short stacking energy: -294.049
Base-Backbone interact. energy: -0.964
local terms energy: -294.282247
where:
bonds (distance) C4'-P energy: -52.669
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -63.456
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -85.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -934.046044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.046044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.046044 (E_RNA)
where:
Base-Base interactions energy: -640.803
where: short stacking energy: -276.731
Base-Backbone interact. energy: -2.707
local terms energy: -290.535928
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -60.173
flat angles P-C4'-P energy: -50.358
tors. eta vs tors. theta energy: -81.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -928.954681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.954681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.954681 (E_RNA)
where:
Base-Base interactions energy: -638.181
where: short stacking energy: -274.725
Base-Backbone interact. energy: 0.218
local terms energy: -290.992422
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -57.875
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -80.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -934.651703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.651703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.651703 (E_RNA)
where:
Base-Base interactions energy: -659.543
where: short stacking energy: -282.393
Base-Backbone interact. energy: 1.886
local terms energy: -276.994833
where:
bonds (distance) C4'-P energy: -45.115
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -48.466
tors. eta vs tors. theta energy: -82.571
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: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -793.755070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.755070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.755070 (E_RNA)
where:
Base-Base interactions energy: -536.749
where: short stacking energy: -247.337
Base-Backbone interact. energy: -0.213
local terms energy: -256.793742
where:
bonds (distance) C4'-P energy: -49.002
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -58.130
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -66.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -825.684933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.684933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.684933 (E_RNA)
where:
Base-Base interactions energy: -563.354
where: short stacking energy: -243.395
Base-Backbone interact. energy: -0.777
local terms energy: -261.554256
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: -66.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -780.502448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.502448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.502448 (E_RNA)
where:
Base-Base interactions energy: -547.912
where: short stacking energy: -235.016
Base-Backbone interact. energy: -0.998
local terms energy: -231.592284
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -43.447
flat angles C4'-P-C4' energy: -45.650
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -64.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -629.435143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.435143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.435143 (E_RNA)
where:
Base-Base interactions energy: -430.269
where: short stacking energy: -192.400
Base-Backbone interact. energy: 1.452
local terms energy: -200.617591
where:
bonds (distance) C4'-P energy: -43.282
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -34.074
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -646.682546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.682546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.682546 (E_RNA)
where:
Base-Base interactions energy: -442.375
where: short stacking energy: -204.553
Base-Backbone interact. energy: -0.887
local terms energy: -203.420137
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -48.669
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -51.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -227.290101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.290101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.290101 (E_RNA)
where:
Base-Base interactions energy: -73.573
where: short stacking energy: -69.913
Base-Backbone interact. energy: -0.769
local terms energy: -152.948588
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -42.471
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: 2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -952.926807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.926807 (E_RNA)
where:
Base-Base interactions energy: -656.855
where: short stacking energy: -292.732
Base-Backbone interact. energy: -1.227
local terms energy: -294.844070
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -48.248
tors. eta vs tors. theta energy: -85.299
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: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -940.671742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.671742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.671742 (E_RNA)
where:
Base-Base interactions energy: -652.245
where: short stacking energy: -282.919
Base-Backbone interact. energy: -0.645
local terms energy: -287.781042
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -85.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -945.454140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.454140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.454140 (E_RNA)
where:
Base-Base interactions energy: -654.074
where: short stacking energy: -270.971
Base-Backbone interact. energy: -0.987
local terms energy: -290.393434
where:
bonds (distance) C4'-P energy: -44.654
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -85.807
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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -903.840875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.840875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.840875 (E_RNA)
where:
Base-Base interactions energy: -631.690
where: short stacking energy: -266.678
Base-Backbone interact. energy: -0.817
local terms energy: -271.334778
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -78.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -825.720032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.720032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.720032 (E_RNA)
where:
Base-Base interactions energy: -559.563
where: short stacking energy: -239.973
Base-Backbone interact. energy: -1.653
local terms energy: -264.504308
where:
bonds (distance) C4'-P energy: -52.430
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -54.037
flat angles P-C4'-P energy: -42.177
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: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -797.888126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.888126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.888126 (E_RNA)
where:
Base-Base interactions energy: -570.454
where: short stacking energy: -233.943
Base-Backbone interact. energy: -1.319
local terms energy: -226.115119
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -40.841
flat angles C4'-P-C4' energy: -52.144
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -61.012
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: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -779.247710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.247710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.247710 (E_RNA)
where:
Base-Base interactions energy: -534.033
where: short stacking energy: -227.507
Base-Backbone interact. energy: -0.818
local terms energy: -244.396655
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -67.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -628.898239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.898239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.898239 (E_RNA)
where:
Base-Base interactions energy: -413.314
where: short stacking energy: -179.123
Base-Backbone interact. energy: -0.250
local terms energy: -215.334034
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -43.341
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -45.547
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: 424
Temperature: 1.300000
Total energy: -637.181785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.181785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.181785 (E_RNA)
where:
Base-Base interactions energy: -426.071
where: short stacking energy: -188.315
Base-Backbone interact. energy: -0.691
local terms energy: -210.419046
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -43.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -228.838082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838082 (E_RNA)
where:
Base-Base interactions energy: -108.664
where: short stacking energy: -71.326
Base-Backbone interact. energy: 3.220
local terms energy: -123.394671
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: 14.237
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: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -962.970595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.970595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.970595 (E_RNA)
where:
Base-Base interactions energy: -658.057
where: short stacking energy: -280.813
Base-Backbone interact. energy: 0.348
local terms energy: -305.261529
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -87.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -939.450126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.450126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.450126 (E_RNA)
where:
Base-Base interactions energy: -643.252
where: short stacking energy: -279.398
Base-Backbone interact. energy: 2.456
local terms energy: -298.653650
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -87.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -928.498685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.498685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.498685 (E_RNA)
where:
Base-Base interactions energy: -631.363
where: short stacking energy: -277.680
Base-Backbone interact. energy: -0.325
local terms energy: -296.810736
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -51.672
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -87.392
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: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -880.374583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.374583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.374583 (E_RNA)
where:
Base-Base interactions energy: -614.565
where: short stacking energy: -262.763
Base-Backbone interact. energy: -0.098
local terms energy: -265.712175
where:
bonds (distance) C4'-P energy: -50.330
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -54.011
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -837.298984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.298984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.298984 (E_RNA)
where:
Base-Base interactions energy: -579.037
where: short stacking energy: -247.254
Base-Backbone interact. energy: -0.542
local terms energy: -257.719671
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -74.031
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: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -787.110468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.110468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.110468 (E_RNA)
where:
Base-Base interactions energy: -551.947
where: short stacking energy: -237.217
Base-Backbone interact. energy: -0.442
local terms energy: -234.721130
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -57.681
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -65.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -765.040199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.040199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.040199 (E_RNA)
where:
Base-Base interactions energy: -538.623
where: short stacking energy: -228.020
Base-Backbone interact. energy: -1.236
local terms energy: -225.180477
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -72.027
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: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -647.641276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.641276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.641276 (E_RNA)
where:
Base-Base interactions energy: -429.161
where: short stacking energy: -194.254
Base-Backbone interact. energy: 1.161
local terms energy: -219.641518
where:
bonds (distance) C4'-P energy: -49.832
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -43.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -590.606677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.606677 (E_RNA)
where:
Base-Base interactions energy: -400.521
where: short stacking energy: -170.970
Base-Backbone interact. energy: -1.699
local terms energy: -188.386957
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -42.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -228.147609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.147609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.147609 (E_RNA)
where:
Base-Base interactions energy: -88.867
where: short stacking energy: -73.222
Base-Backbone interact. energy: -1.035
local terms energy: -138.245496
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -41.179
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: 6.442
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: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -947.643000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.643000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.643000 (E_RNA)
where:
Base-Base interactions energy: -658.265
where: short stacking energy: -280.992
Base-Backbone interact. energy: 0.599
local terms energy: -289.976738
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -57.342
flat angles C4'-P-C4' energy: -64.365
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -80.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -944.911201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.911201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.911201 (E_RNA)
where:
Base-Base interactions energy: -658.674
where: short stacking energy: -295.719
Base-Backbone interact. energy: -1.493
local terms energy: -284.744259
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -93.252
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: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -877.882052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.882052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.882052 (E_RNA)
where:
Base-Base interactions energy: -593.313
where: short stacking energy: -257.666
Base-Backbone interact. energy: -2.012
local terms energy: -282.557295
where:
bonds (distance) C4'-P energy: -51.114
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -73.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -898.927900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.927900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.927900 (E_RNA)
where:
Base-Base interactions energy: -623.776
where: short stacking energy: -258.600
Base-Backbone interact. energy: -0.718
local terms energy: -274.433828
where:
bonds (distance) C4'-P energy: -46.951
bonds (distance) P-C4' energy: -54.836
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -81.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -826.281094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.281094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.281094 (E_RNA)
where:
Base-Base interactions energy: -571.058
where: short stacking energy: -249.848
Base-Backbone interact. energy: 3.692
local terms energy: -258.915184
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -51.896
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -808.025935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.025935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.025935 (E_RNA)
where:
Base-Base interactions energy: -562.611
where: short stacking energy: -242.629
Base-Backbone interact. energy: -1.943
local terms energy: -243.471398
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -69.169
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: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -773.056605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.056605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.056605 (E_RNA)
where:
Base-Base interactions energy: -534.404
where: short stacking energy: -229.165
Base-Backbone interact. energy: -2.365
local terms energy: -236.287463
where:
bonds (distance) C4'-P energy: -49.224
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -62.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -589.494063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.494063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.494063 (E_RNA)
where:
Base-Base interactions energy: -375.608
where: short stacking energy: -174.175
Base-Backbone interact. energy: -1.828
local terms energy: -212.057856
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -587.709497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.709497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.709497 (E_RNA)
where:
Base-Base interactions energy: -381.520
where: short stacking energy: -170.846
Base-Backbone interact. energy: -0.518
local terms energy: -205.670873
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -45.757
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -216.668728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.668728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.668728 (E_RNA)
where:
Base-Base interactions energy: -66.960
where: short stacking energy: -60.420
Base-Backbone interact. energy: -1.247
local terms energy: -148.461571
where:
bonds (distance) C4'-P energy: -45.687
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -0.037
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: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -950.383710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.383710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.383710 (E_RNA)
where:
Base-Base interactions energy: -645.599
where: short stacking energy: -271.932
Base-Backbone interact. energy: -0.803
local terms energy: -303.981439
where:
bonds (distance) C4'-P energy: -53.898
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -63.432
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -83.578
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: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -953.147448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.147448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.147448 (E_RNA)
where:
Base-Base interactions energy: -643.275
where: short stacking energy: -286.361
Base-Backbone interact. energy: -0.900
local terms energy: -308.971688
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -89.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -900.291740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.291740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.291740 (E_RNA)
where:
Base-Base interactions energy: -626.828
where: short stacking energy: -258.373
Base-Backbone interact. energy: -0.304
local terms energy: -273.159711
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -42.572
tors. eta vs tors. theta energy: -74.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -883.659425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.659425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.659425 (E_RNA)
where:
Base-Base interactions energy: -615.624
where: short stacking energy: -260.406
Base-Backbone interact. energy: -0.853
local terms energy: -267.182685
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -79.026
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: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -827.094934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.094934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.094934 (E_RNA)
where:
Base-Base interactions energy: -568.592
where: short stacking energy: -234.942
Base-Backbone interact. energy: 0.144
local terms energy: -258.647462
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -48.137
tors. eta vs tors. theta energy: -68.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -804.182280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.182280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.182280 (E_RNA)
where:
Base-Base interactions energy: -557.609
where: short stacking energy: -233.468
Base-Backbone interact. energy: -0.483
local terms energy: -246.090259
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -68.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -774.253788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.253788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.253788 (E_RNA)
where:
Base-Base interactions energy: -527.940
where: short stacking energy: -226.172
Base-Backbone interact. energy: -0.670
local terms energy: -245.643460
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -47.340
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -63.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -605.870575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.870575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.870575 (E_RNA)
where:
Base-Base interactions energy: -386.519
where: short stacking energy: -161.830
Base-Backbone interact. energy: -0.814
local terms energy: -218.537333
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -50.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -562.720026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.720026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.720026 (E_RNA)
where:
Base-Base interactions energy: -382.054
where: short stacking energy: -160.289
Base-Backbone interact. energy: 0.314
local terms energy: -180.979394
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -41.279
flat angles C4'-P-C4' energy: -45.763
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -40.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -231.775551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.775551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.775551 (E_RNA)
where:
Base-Base interactions energy: -84.884
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.691
local terms energy: -146.199855
where:
bonds (distance) C4'-P energy: -40.686
bonds (distance) P-C4' energy: -37.765
flat angles C4'-P-C4' energy: -47.771
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: 3.913
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: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -970.631316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.631316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.631316 (E_RNA)
where:
Base-Base interactions energy: -669.658
where: short stacking energy: -286.959
Base-Backbone interact. energy: -1.707
local terms energy: -299.265743
where:
bonds (distance) C4'-P energy: -47.680
bonds (distance) P-C4' energy: -60.577
flat angles C4'-P-C4' energy: -59.827
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -84.443
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: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -952.381028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.381028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.381028 (E_RNA)
where:
Base-Base interactions energy: -671.904
where: short stacking energy: -283.190
Base-Backbone interact. energy: 0.546
local terms energy: -281.023201
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -86.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -888.004794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.004794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.004794 (E_RNA)
where:
Base-Base interactions energy: -615.233
where: short stacking energy: -270.958
Base-Backbone interact. energy: 0.211
local terms energy: -272.983270
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -58.884
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: -78.216
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: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -908.454582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.454582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.454582 (E_RNA)
where:
Base-Base interactions energy: -638.182
where: short stacking energy: -285.258
Base-Backbone interact. energy: -0.291
local terms energy: -269.982011
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -56.920
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -78.746
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: 428
Temperature: 1.100000
Total energy: -809.222480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.222480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.222480 (E_RNA)
where:
Base-Base interactions energy: -555.284
where: short stacking energy: -240.900
Base-Backbone interact. energy: -0.157
local terms energy: -253.781040
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -68.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -802.620729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.620729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.620729 (E_RNA)
where:
Base-Base interactions energy: -562.943
where: short stacking energy: -244.419
Base-Backbone interact. energy: -0.892
local terms energy: -238.785763
where:
bonds (distance) C4'-P energy: -38.214
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -65.983
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -786.679724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.679724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.679724 (E_RNA)
where:
Base-Base interactions energy: -538.594
where: short stacking energy: -225.887
Base-Backbone interact. energy: -0.130
local terms energy: -247.956020
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -66.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -593.593855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.593855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.593855 (E_RNA)
where:
Base-Base interactions energy: -391.444
where: short stacking energy: -186.085
Base-Backbone interact. energy: 0.685
local terms energy: -202.835350
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -46.853
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -40.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -606.006583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.006583 (E_RNA)
where:
Base-Base interactions energy: -402.299
where: short stacking energy: -172.789
Base-Backbone interact. energy: 3.253
local terms energy: -206.959831
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -29.701
tors. eta vs tors. theta energy: -53.833
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: 428
Temperature: 1.350000
Total energy: -216.050557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.050557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.050557 (E_RNA)
where:
Base-Base interactions energy: -80.382
where: short stacking energy: -67.359
Base-Backbone interact. energy: -1.183
local terms energy: -134.485543
where:
bonds (distance) C4'-P energy: -45.208
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: 4.495
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -951.800491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.800491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.800491 (E_RNA)
where:
Base-Base interactions energy: -660.516
where: short stacking energy: -297.526
Base-Backbone interact. energy: -1.870
local terms energy: -289.414578
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -44.187
tors. eta vs tors. theta energy: -86.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -944.799486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.799486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.799486 (E_RNA)
where:
Base-Base interactions energy: -663.842
where: short stacking energy: -278.963
Base-Backbone interact. energy: 1.169
local terms energy: -282.126199
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -61.988
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -81.852
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: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -887.449600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.449600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.449600 (E_RNA)
where:
Base-Base interactions energy: -609.556
where: short stacking energy: -264.870
Base-Backbone interact. energy: -1.747
local terms energy: -276.146945
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -75.360
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -911.020861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.020861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.020861 (E_RNA)
where:
Base-Base interactions energy: -633.456
where: short stacking energy: -279.663
Base-Backbone interact. energy: 1.106
local terms energy: -278.671158
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -81.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -819.279289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.279289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.279289 (E_RNA)
where:
Base-Base interactions energy: -556.927
where: short stacking energy: -253.385
Base-Backbone interact. energy: -0.870
local terms energy: -261.482179
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -46.453
flat angles C4'-P-C4' energy: -59.742
flat angles P-C4'-P energy: -37.430
tors. eta vs tors. theta energy: -70.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -796.846696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.846696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.846696 (E_RNA)
where:
Base-Base interactions energy: -557.733
where: short stacking energy: -236.859
Base-Backbone interact. energy: -0.800
local terms energy: -238.314429
where:
bonds (distance) C4'-P energy: -41.622
bonds (distance) P-C4' energy: -50.293
flat angles C4'-P-C4' energy: -50.914
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -60.283
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: 429
Temperature: 1.200000
Total energy: -757.504557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.504557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.504557 (E_RNA)
where:
Base-Base interactions energy: -515.611
where: short stacking energy: -218.325
Base-Backbone interact. energy: 2.058
local terms energy: -243.950758
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -55.261
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -60.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -626.888880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.888880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.888880 (E_RNA)
where:
Base-Base interactions energy: -413.046
where: short stacking energy: -207.140
Base-Backbone interact. energy: 0.329
local terms energy: -214.172446
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -41.575
flat angles C4'-P-C4' energy: -53.692
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -51.767
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: 429
Temperature: 1.300000
Total energy: -610.878875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.878875 (E_RNA)
where:
Base-Base interactions energy: -421.668
where: short stacking energy: -177.649
Base-Backbone interact. energy: -0.827
local terms energy: -188.383858
where:
bonds (distance) C4'-P energy: -44.001
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: -40.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -227.035060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.035060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035060 (E_RNA)
where:
Base-Base interactions energy: -74.395
where: short stacking energy: -63.009
Base-Backbone interact. energy: 1.681
local terms energy: -154.321436
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -947.777640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.777640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.777640 (E_RNA)
where:
Base-Base interactions energy: -653.725
where: short stacking energy: -280.684
Base-Backbone interact. energy: 0.795
local terms energy: -294.846731
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -952.030980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.030980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.030980 (E_RNA)
where:
Base-Base interactions energy: -661.665
where: short stacking energy: -291.692
Base-Backbone interact. energy: -1.094
local terms energy: -289.272029
where:
bonds (distance) C4'-P energy: -56.355
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -90.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -923.016209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.016209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.016209 (E_RNA)
where:
Base-Base interactions energy: -657.984
where: short stacking energy: -272.488
Base-Backbone interact. energy: -1.911
local terms energy: -263.121959
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -52.993
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -79.633
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: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -882.479895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.479895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.479895 (E_RNA)
where:
Base-Base interactions energy: -618.275
where: short stacking energy: -281.167
Base-Backbone interact. energy: -1.674
local terms energy: -262.530964
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -44.396
flat angles C4'-P-C4' energy: -55.591
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -83.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -831.583641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.583641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.583641 (E_RNA)
where:
Base-Base interactions energy: -570.972
where: short stacking energy: -245.408
Base-Backbone interact. energy: -1.446
local terms energy: -259.166263
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -40.345
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: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -807.859899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.859899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.859899 (E_RNA)
where:
Base-Base interactions energy: -558.325
where: short stacking energy: -249.942
Base-Backbone interact. energy: 0.064
local terms energy: -249.598354
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -47.602
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -67.810
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: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -732.599697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.599697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.599697 (E_RNA)
where:
Base-Base interactions energy: -511.771
where: short stacking energy: -209.448
Base-Backbone interact. energy: -0.726
local terms energy: -220.102330
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -63.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -611.521304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.521304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.521304 (E_RNA)
where:
Base-Base interactions energy: -402.995
where: short stacking energy: -188.736
Base-Backbone interact. energy: 0.152
local terms energy: -208.678233
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -56.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -620.175103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.175103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.175103 (E_RNA)
where:
Base-Base interactions energy: -408.741
where: short stacking energy: -187.774
Base-Backbone interact. energy: -0.285
local terms energy: -211.148915
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -47.609
flat angles C4'-P-C4' energy: -52.064
flat angles P-C4'-P energy: -30.339
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: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -221.271249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.271249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.271249 (E_RNA)
where:
Base-Base interactions energy: -80.796
where: short stacking energy: -53.025
Base-Backbone interact. energy: 0.097
local terms energy: -140.572081
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: 9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -967.081323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.081323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.081323 (E_RNA)
where:
Base-Base interactions energy: -675.417
where: short stacking energy: -295.227
Base-Backbone interact. energy: -0.561
local terms energy: -291.103132
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -61.191
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -86.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -968.356051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.356051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.356051 (E_RNA)
where:
Base-Base interactions energy: -677.456
where: short stacking energy: -296.924
Base-Backbone interact. energy: -0.731
local terms energy: -290.169498
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -54.781
flat angles P-C4'-P energy: -42.278
tors. eta vs tors. theta energy: -86.957
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: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -914.958427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.958427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.958427 (E_RNA)
where:
Base-Base interactions energy: -657.199
where: short stacking energy: -277.163
Base-Backbone interact. energy: -1.173
local terms energy: -256.587140
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -56.119
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -82.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -886.611245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.611245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.611245 (E_RNA)
where:
Base-Base interactions energy: -607.833
where: short stacking energy: -256.815
Base-Backbone interact. energy: -2.977
local terms energy: -275.801499
where:
bonds (distance) C4'-P energy: -40.047
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -60.040
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -84.958
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: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -826.922950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.922950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.922950 (E_RNA)
where:
Base-Base interactions energy: -573.465
where: short stacking energy: -244.320
Base-Backbone interact. energy: -0.957
local terms energy: -252.500888
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -61.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -777.111936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.111936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.111936 (E_RNA)
where:
Base-Base interactions energy: -525.083
where: short stacking energy: -225.624
Base-Backbone interact. energy: 0.671
local terms energy: -252.699972
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -66.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -769.754685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.754685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.754685 (E_RNA)
where:
Base-Base interactions energy: -532.908
where: short stacking energy: -230.590
Base-Backbone interact. energy: -0.186
local terms energy: -236.660429
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -601.653531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.653531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.653531 (E_RNA)
where:
Base-Base interactions energy: -383.156
where: short stacking energy: -171.375
Base-Backbone interact. energy: -0.943
local terms energy: -217.554424
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -47.452
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -41.400
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: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -636.668067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.668067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.668067 (E_RNA)
where:
Base-Base interactions energy: -427.521
where: short stacking energy: -189.210
Base-Backbone interact. energy: 0.464
local terms energy: -209.611769
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -228.270643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.270643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.270643 (E_RNA)
where:
Base-Base interactions energy: -86.010
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.517
local terms energy: -141.743576
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -20.461
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: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -961.317935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.317935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.317935 (E_RNA)
where:
Base-Base interactions energy: -663.589
where: short stacking energy: -279.461
Base-Backbone interact. energy: -2.592
local terms energy: -295.137715
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -62.430
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -81.507
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: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -971.216544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.216544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.216544 (E_RNA)
where:
Base-Base interactions energy: -672.377
where: short stacking energy: -290.904
Base-Backbone interact. energy: -0.758
local terms energy: -298.081631
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -62.836
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: -92.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -909.760653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.760653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.760653 (E_RNA)
where:
Base-Base interactions energy: -635.903
where: short stacking energy: -273.773
Base-Backbone interact. energy: -0.021
local terms energy: -273.836897
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -80.477
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: 432
Temperature: 1.050000
Total energy: -889.592985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.592985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.592985 (E_RNA)
where:
Base-Base interactions energy: -625.756
where: short stacking energy: -258.805
Base-Backbone interact. energy: 1.439
local terms energy: -265.276661
where:
bonds (distance) C4'-P energy: -49.222
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -47.056
flat angles P-C4'-P energy: -41.502
tors. eta vs tors. theta energy: -76.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -844.652426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.652426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.652426 (E_RNA)
where:
Base-Base interactions energy: -559.744
where: short stacking energy: -248.803
Base-Backbone interact. energy: 0.020
local terms energy: -284.928188
where:
bonds (distance) C4'-P energy: -54.256
bonds (distance) P-C4' energy: -53.934
flat angles C4'-P-C4' energy: -56.155
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -77.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -758.959816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.959816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.959816 (E_RNA)
where:
Base-Base interactions energy: -520.519
where: short stacking energy: -217.679
Base-Backbone interact. energy: -0.309
local terms energy: -238.131513
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -58.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -777.365501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.365501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.365501 (E_RNA)
where:
Base-Base interactions energy: -532.329
where: short stacking energy: -246.202
Base-Backbone interact. energy: 1.096
local terms energy: -246.133056
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -53.634
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -72.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -556.794043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.794043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.794043 (E_RNA)
where:
Base-Base interactions energy: -350.982
where: short stacking energy: -134.776
Base-Backbone interact. energy: -1.544
local terms energy: -204.268205
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -44.662
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -33.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -532.167545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.167545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.167545 (E_RNA)
where:
Base-Base interactions energy: -336.197
where: short stacking energy: -157.982
Base-Backbone interact. energy: -0.019
local terms energy: -195.951279
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -42.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -215.520705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.520705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.520705 (E_RNA)
where:
Base-Base interactions energy: -79.144
where: short stacking energy: -50.401
Base-Backbone interact. energy: 0.827
local terms energy: -137.203438
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -34.975
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: 11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -964.354566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.354566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.354566 (E_RNA)
where:
Base-Base interactions energy: -669.321
where: short stacking energy: -275.031
Base-Backbone interact. energy: -0.928
local terms energy: -294.105287
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -51.051
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -81.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -948.971755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.971755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.971755 (E_RNA)
where:
Base-Base interactions energy: -657.820
where: short stacking energy: -291.726
Base-Backbone interact. energy: -0.383
local terms energy: -290.768149
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -56.569
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -85.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -888.160609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.160609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.160609 (E_RNA)
where:
Base-Base interactions energy: -626.283
where: short stacking energy: -257.665
Base-Backbone interact. energy: -1.301
local terms energy: -260.577167
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -61.970
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -77.406
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: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -902.589121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.589121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.589121 (E_RNA)
where:
Base-Base interactions energy: -636.446
where: short stacking energy: -271.569
Base-Backbone interact. energy: 0.507
local terms energy: -266.650620
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -33.087
tors. eta vs tors. theta energy: -82.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -848.641264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.641264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.641264 (E_RNA)
where:
Base-Base interactions energy: -585.351
where: short stacking energy: -248.411
Base-Backbone interact. energy: -1.431
local terms energy: -261.859803
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -52.874
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -70.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -791.225655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.225655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.225655 (E_RNA)
where:
Base-Base interactions energy: -537.770
where: short stacking energy: -232.667
Base-Backbone interact. energy: -1.340
local terms energy: -252.116242
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -64.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -734.706242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.706242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.706242 (E_RNA)
where:
Base-Base interactions energy: -509.665
where: short stacking energy: -212.659
Base-Backbone interact. energy: -2.694
local terms energy: -222.346733
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -56.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -563.888337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.888337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.888337 (E_RNA)
where:
Base-Base interactions energy: -366.747
where: short stacking energy: -158.224
Base-Backbone interact. energy: -1.908
local terms energy: -195.232631
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -32.567
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -37.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -591.437962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.437962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.437962 (E_RNA)
where:
Base-Base interactions energy: -361.028
where: short stacking energy: -170.507
Base-Backbone interact. energy: -1.036
local terms energy: -229.373950
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -47.966
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -37.991
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: 433
Temperature: 1.350000
Total energy: -212.700672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.700672 (E_RNA)
where:
Base-Base interactions energy: -71.981
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.136
local terms energy: -140.583554
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -3.824
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: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -972.894290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.894290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.894290 (E_RNA)
where:
Base-Base interactions energy: -673.724
where: short stacking energy: -270.176
Base-Backbone interact. energy: -1.576
local terms energy: -297.594021
where:
bonds (distance) C4'-P energy: -57.009
bonds (distance) P-C4' energy: -56.726
flat angles C4'-P-C4' energy: -55.512
flat angles P-C4'-P energy: -47.217
tors. eta vs tors. theta energy: -81.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -953.489962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.489962 (E_RNA)
where:
Base-Base interactions energy: -650.463
where: short stacking energy: -295.260
Base-Backbone interact. energy: -3.942
local terms energy: -299.084813
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -55.034
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -45.506
tors. eta vs tors. theta energy: -87.969
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -924.217089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.217089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.217089 (E_RNA)
where:
Base-Base interactions energy: -640.848
where: short stacking energy: -277.627
Base-Backbone interact. energy: -1.362
local terms energy: -282.006304
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -53.220
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -77.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -903.155608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.155608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.155608 (E_RNA)
where:
Base-Base interactions energy: -634.130
where: short stacking energy: -277.628
Base-Backbone interact. energy: 0.562
local terms energy: -269.587496
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -79.821
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -835.815993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.815993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.815993 (E_RNA)
where:
Base-Base interactions energy: -572.149
where: short stacking energy: -243.165
Base-Backbone interact. energy: 4.108
local terms energy: -267.774531
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -69.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -753.594629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.594629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.594629 (E_RNA)
where:
Base-Base interactions energy: -504.603
where: short stacking energy: -221.042
Base-Backbone interact. energy: 4.756
local terms energy: -253.746875
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -69.003
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: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -752.518069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.518069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.518069 (E_RNA)
where:
Base-Base interactions energy: -521.909
where: short stacking energy: -219.770
Base-Backbone interact. energy: -0.323
local terms energy: -230.286091
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -49.261
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: -61.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -594.820335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.820335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.820335 (E_RNA)
where:
Base-Base interactions energy: -396.086
where: short stacking energy: -174.068
Base-Backbone interact. energy: -1.759
local terms energy: -196.974459
where:
bonds (distance) C4'-P energy: -43.104
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -33.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -545.601860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.601860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.601860 (E_RNA)
where:
Base-Base interactions energy: -345.602
where: short stacking energy: -150.454
Base-Backbone interact. energy: -1.014
local terms energy: -198.985693
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -218.104400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104400 (E_RNA)
where:
Base-Base interactions energy: -81.697
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.859
local terms energy: -135.548666
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: 7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -962.597285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.597285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.597285 (E_RNA)
where:
Base-Base interactions energy: -665.977
where: short stacking energy: -292.367
Base-Backbone interact. energy: -1.666
local terms energy: -294.955274
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -50.947
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -89.284
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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -948.700610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.700610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.700610 (E_RNA)
where:
Base-Base interactions energy: -662.869
where: short stacking energy: -295.786
Base-Backbone interact. energy: 0.591
local terms energy: -286.423171
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -48.979
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -86.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -921.175995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.175995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.175995 (E_RNA)
where:
Base-Base interactions energy: -640.016
where: short stacking energy: -263.108
Base-Backbone interact. energy: -0.039
local terms energy: -281.120778
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -905.550498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.550498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.550498 (E_RNA)
where:
Base-Base interactions energy: -630.356
where: short stacking energy: -272.903
Base-Backbone interact. energy: -1.374
local terms energy: -273.820484
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -82.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -828.564810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.564810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.564810 (E_RNA)
where:
Base-Base interactions energy: -581.413
where: short stacking energy: -251.297
Base-Backbone interact. energy: -1.234
local terms energy: -245.917644
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -69.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -792.796079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.796079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.796079 (E_RNA)
where:
Base-Base interactions energy: -556.633
where: short stacking energy: -237.982
Base-Backbone interact. energy: -1.020
local terms energy: -235.143822
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -68.423
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: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -725.760833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.760833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.760833 (E_RNA)
where:
Base-Base interactions energy: -488.676
where: short stacking energy: -207.798
Base-Backbone interact. energy: 1.130
local terms energy: -238.214552
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -57.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -590.725182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.725182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.725182 (E_RNA)
where:
Base-Base interactions energy: -370.041
where: short stacking energy: -160.351
Base-Backbone interact. energy: 2.122
local terms energy: -222.806275
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -550.557697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.557697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.557697 (E_RNA)
where:
Base-Base interactions energy: -350.710
where: short stacking energy: -161.048
Base-Backbone interact. energy: -0.252
local terms energy: -199.595461
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -40.064
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -219.965999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.965999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.965999 (E_RNA)
where:
Base-Base interactions energy: -73.469
where: short stacking energy: -71.166
Base-Backbone interact. energy: 0.038
local terms energy: -146.535242
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: 1.152
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: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -980.691700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.691700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.691700 (E_RNA)
where:
Base-Base interactions energy: -691.937
where: short stacking energy: -300.185
Base-Backbone interact. energy: 0.599
local terms energy: -289.354234
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -60.798
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -90.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -948.777115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.777115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.777115 (E_RNA)
where:
Base-Base interactions energy: -649.063
where: short stacking energy: -278.200
Base-Backbone interact. energy: 0.048
local terms energy: -299.762747
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -53.187
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -88.531
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: 436
Temperature: 1.000000
Total energy: -908.424741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.424741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.424741 (E_RNA)
where:
Base-Base interactions energy: -638.585
where: short stacking energy: -268.164
Base-Backbone interact. energy: -1.696
local terms energy: -268.143416
where:
bonds (distance) C4'-P energy: -43.381
bonds (distance) P-C4' energy: -47.679
flat angles C4'-P-C4' energy: -53.206
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: -78.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -885.733629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.733629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.733629 (E_RNA)
where:
Base-Base interactions energy: -624.464
where: short stacking energy: -261.821
Base-Backbone interact. energy: -0.503
local terms energy: -260.766154
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -64.070
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -72.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -823.531009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.531009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.531009 (E_RNA)
where:
Base-Base interactions energy: -574.173
where: short stacking energy: -240.525
Base-Backbone interact. energy: -2.298
local terms energy: -247.060978
where:
bonds (distance) C4'-P energy: -47.489
bonds (distance) P-C4' energy: -51.295
flat angles C4'-P-C4' energy: -51.557
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -62.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -793.276449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.276449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.276449 (E_RNA)
where:
Base-Base interactions energy: -549.211
where: short stacking energy: -245.544
Base-Backbone interact. energy: 0.719
local terms energy: -244.784200
where:
bonds (distance) C4'-P energy: -42.421
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -33.129
tors. eta vs tors. theta energy: -73.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -727.021385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.021385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.021385 (E_RNA)
where:
Base-Base interactions energy: -505.407
where: short stacking energy: -214.991
Base-Backbone interact. energy: -1.694
local terms energy: -219.919763
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -54.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -599.384082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.384082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.384082 (E_RNA)
where:
Base-Base interactions energy: -378.963
where: short stacking energy: -174.753
Base-Backbone interact. energy: 0.133
local terms energy: -220.554215
where:
bonds (distance) C4'-P energy: -38.793
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -49.624
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -39.253
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: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -570.091369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.091369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.091369 (E_RNA)
where:
Base-Base interactions energy: -365.039
where: short stacking energy: -157.595
Base-Backbone interact. energy: -0.913
local terms energy: -204.139375
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -45.355
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -224.336161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.336161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.336161 (E_RNA)
where:
Base-Base interactions energy: -80.815
where: short stacking energy: -64.601
Base-Backbone interact. energy: 0.330
local terms energy: -143.851213
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -48.110
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -2.213
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: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -946.283964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.283964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.283964 (E_RNA)
where:
Base-Base interactions energy: -660.797
where: short stacking energy: -290.230
Base-Backbone interact. energy: 0.612
local terms energy: -286.098722
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -88.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -952.715428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.715428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.715428 (E_RNA)
where:
Base-Base interactions energy: -669.659
where: short stacking energy: -292.979
Base-Backbone interact. energy: -1.741
local terms energy: -281.315879
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -42.156
tors. eta vs tors. theta energy: -81.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -921.871124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.871124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.871124 (E_RNA)
where:
Base-Base interactions energy: -642.203
where: short stacking energy: -279.373
Base-Backbone interact. energy: -0.894
local terms energy: -278.774541
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -50.965
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -81.998
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: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -911.680278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.680278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.680278 (E_RNA)
where:
Base-Base interactions energy: -627.320
where: short stacking energy: -273.980
Base-Backbone interact. energy: -0.320
local terms energy: -284.040259
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -82.008
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: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -814.689102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.689102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.689102 (E_RNA)
where:
Base-Base interactions energy: -567.399
where: short stacking energy: -244.657
Base-Backbone interact. energy: -0.748
local terms energy: -246.541597
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -67.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -805.579029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.579029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.579029 (E_RNA)
where:
Base-Base interactions energy: -565.033
where: short stacking energy: -245.753
Base-Backbone interact. energy: -0.379
local terms energy: -240.166475
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -29.125
tors. eta vs tors. theta energy: -73.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -744.952066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.952066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.952066 (E_RNA)
where:
Base-Base interactions energy: -481.769
where: short stacking energy: -214.389
Base-Backbone interact. energy: -0.981
local terms energy: -262.201834
where:
bonds (distance) C4'-P energy: -49.992
bonds (distance) P-C4' energy: -55.249
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -59.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -618.246645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.246645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.246645 (E_RNA)
where:
Base-Base interactions energy: -410.514
where: short stacking energy: -181.622
Base-Backbone interact. energy: -1.843
local terms energy: -205.889834
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -47.564
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -45.883
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: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -625.152437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.152437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.152437 (E_RNA)
where:
Base-Base interactions energy: -412.907
where: short stacking energy: -191.923
Base-Backbone interact. energy: -0.111
local terms energy: -212.134369
where:
bonds (distance) C4'-P energy: -47.974
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -46.127
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: -41.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -226.334658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.334658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.334658 (E_RNA)
where:
Base-Base interactions energy: -70.819
where: short stacking energy: -62.816
Base-Backbone interact. energy: 4.177
local terms energy: -159.692434
where:
bonds (distance) C4'-P energy: -46.884
bonds (distance) P-C4' energy: -38.766
flat angles C4'-P-C4' energy: -45.362
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -954.942104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.942104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.942104 (E_RNA)
where:
Base-Base interactions energy: -654.276
where: short stacking energy: -281.232
Base-Backbone interact. energy: -1.985
local terms energy: -298.680789
where:
bonds (distance) C4'-P energy: -59.124
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -46.870
tors. eta vs tors. theta energy: -82.840
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -925.551915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.551915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.551915 (E_RNA)
where:
Base-Base interactions energy: -634.993
where: short stacking energy: -276.518
Base-Backbone interact. energy: -0.074
local terms energy: -290.485042
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -48.041
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -87.444
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -902.761203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.761203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.761203 (E_RNA)
where:
Base-Base interactions energy: -639.587
where: short stacking energy: -272.969
Base-Backbone interact. energy: -0.890
local terms energy: -262.283797
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -888.536927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.536927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.536927 (E_RNA)
where:
Base-Base interactions energy: -612.380
where: short stacking energy: -261.552
Base-Backbone interact. energy: -1.829
local terms energy: -274.328267
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -48.123
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -80.872
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: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -811.337208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.337208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.337208 (E_RNA)
where:
Base-Base interactions energy: -566.732
where: short stacking energy: -244.897
Base-Backbone interact. energy: -0.086
local terms energy: -244.519331
where:
bonds (distance) C4'-P energy: -44.470
bonds (distance) P-C4' energy: -44.030
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -65.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -796.682968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.682968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.682968 (E_RNA)
where:
Base-Base interactions energy: -546.564
where: short stacking energy: -225.231
Base-Backbone interact. energy: -1.562
local terms energy: -248.557058
where:
bonds (distance) C4'-P energy: -53.283
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -34.913
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: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -752.996613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.996613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.996613 (E_RNA)
where:
Base-Base interactions energy: -521.340
where: short stacking energy: -216.024
Base-Backbone interact. energy: 0.864
local terms energy: -232.520521
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -51.999
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -57.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -643.417856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.417856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.417856 (E_RNA)
where:
Base-Base interactions energy: -422.037
where: short stacking energy: -202.067
Base-Backbone interact. energy: -1.179
local terms energy: -220.202009
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -48.546
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -616.668226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.668226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.668226 (E_RNA)
where:
Base-Base interactions energy: -424.486
where: short stacking energy: -182.692
Base-Backbone interact. energy: 0.669
local terms energy: -192.851079
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -35.663
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -42.309
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: 438
Temperature: 1.350000
Total energy: -224.738755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.738755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.738755 (E_RNA)
where:
Base-Base interactions energy: -79.251
where: short stacking energy: -74.326
Base-Backbone interact. energy: 0.442
local terms energy: -145.929573
where:
bonds (distance) C4'-P energy: -44.768
bonds (distance) P-C4' energy: -43.219
flat angles C4'-P-C4' energy: -37.281
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -974.702921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.702921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.702921 (E_RNA)
where:
Base-Base interactions energy: -673.332
where: short stacking energy: -287.826
Base-Backbone interact. energy: -1.007
local terms energy: -300.363768
where:
bonds (distance) C4'-P energy: -55.185
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: -84.469
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: 439
Temperature: 0.950000
Total energy: -924.882412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.882412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.882412 (E_RNA)
where:
Base-Base interactions energy: -633.466
where: short stacking energy: -274.917
Base-Backbone interact. energy: -0.932
local terms energy: -290.483835
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -85.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -937.687881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.687881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.687881 (E_RNA)
where:
Base-Base interactions energy: -667.794
where: short stacking energy: -285.668
Base-Backbone interact. energy: -1.297
local terms energy: -268.596999
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -37.240
tors. eta vs tors. theta energy: -83.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -908.322880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.322880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.322880 (E_RNA)
where:
Base-Base interactions energy: -641.523
where: short stacking energy: -269.349
Base-Backbone interact. energy: -1.102
local terms energy: -265.698637
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -78.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -814.440670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.440670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.440670 (E_RNA)
where:
Base-Base interactions energy: -563.953
where: short stacking energy: -241.501
Base-Backbone interact. energy: -0.809
local terms energy: -249.679195
where:
bonds (distance) C4'-P energy: -49.034
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -71.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -801.922496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.922496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.922496 (E_RNA)
where:
Base-Base interactions energy: -552.308
where: short stacking energy: -237.928
Base-Backbone interact. energy: -0.103
local terms energy: -249.511594
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -50.821
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -66.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -753.790626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.790626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.790626 (E_RNA)
where:
Base-Base interactions energy: -515.209
where: short stacking energy: -223.950
Base-Backbone interact. energy: -0.459
local terms energy: -238.123408
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -41.698
flat angles C4'-P-C4' energy: -43.503
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -65.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -643.787605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.787605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.787605 (E_RNA)
where:
Base-Base interactions energy: -441.334
where: short stacking energy: -191.627
Base-Backbone interact. energy: 5.269
local terms energy: -207.722370
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -49.756
flat angles C4'-P-C4' energy: -44.326
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -50.750
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: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -584.848669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.848669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.848669 (E_RNA)
where:
Base-Base interactions energy: -383.619
where: short stacking energy: -172.550
Base-Backbone interact. energy: -0.531
local terms energy: -200.698836
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -39.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -215.684116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.684116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.684116 (E_RNA)
where:
Base-Base interactions energy: -100.701
where: short stacking energy: -66.385
Base-Backbone interact. energy: 1.467
local terms energy: -116.450492
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: 7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -969.403903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.403903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.403903 (E_RNA)
where:
Base-Base interactions energy: -661.982
where: short stacking energy: -292.987
Base-Backbone interact. energy: 0.248
local terms energy: -307.670094
where:
bonds (distance) C4'-P energy: -57.800
bonds (distance) P-C4' energy: -61.099
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -81.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -924.097138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.097138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.097138 (E_RNA)
where:
Base-Base interactions energy: -643.828
where: short stacking energy: -280.607
Base-Backbone interact. energy: -0.399
local terms energy: -279.869958
where:
bonds (distance) C4'-P energy: -46.543
bonds (distance) P-C4' energy: -52.056
flat angles C4'-P-C4' energy: -62.062
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -925.693248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.693248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.693248 (E_RNA)
where:
Base-Base interactions energy: -649.151
where: short stacking energy: -279.287
Base-Backbone interact. energy: -1.456
local terms energy: -275.086368
where:
bonds (distance) C4'-P energy: -58.329
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -54.407
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -84.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -879.269474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.269474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.269474 (E_RNA)
where:
Base-Base interactions energy: -611.847
where: short stacking energy: -245.936
Base-Backbone interact. energy: 0.213
local terms energy: -267.635179
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -59.325
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -73.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -827.467694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.467694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.467694 (E_RNA)
where:
Base-Base interactions energy: -564.854
where: short stacking energy: -241.677
Base-Backbone interact. energy: -1.653
local terms energy: -260.961125
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -43.432
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -67.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -818.484062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.484062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.484062 (E_RNA)
where:
Base-Base interactions energy: -565.829
where: short stacking energy: -247.238
Base-Backbone interact. energy: -0.735
local terms energy: -251.919624
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: -67.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -656.238264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.238264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.238264 (E_RNA)
where:
Base-Base interactions energy: -434.821
where: short stacking energy: -198.403
Base-Backbone interact. energy: -0.412
local terms energy: -221.005164
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -48.806
flat angles C4'-P-C4' energy: -45.099
flat angles P-C4'-P energy: -30.622
tors. eta vs tors. theta energy: -57.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -724.717976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.717976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.717976 (E_RNA)
where:
Base-Base interactions energy: -513.672
where: short stacking energy: -197.833
Base-Backbone interact. energy: -0.093
local terms energy: -210.953238
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -46.788
flat angles C4'-P-C4' energy: -45.232
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -54.157
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: 440
Temperature: 1.300000
Total energy: -573.569077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.569077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.569077 (E_RNA)
where:
Base-Base interactions energy: -377.890
where: short stacking energy: -166.677
Base-Backbone interact. energy: -1.216
local terms energy: -194.462983
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -238.588781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.588781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.588781 (E_RNA)
where:
Base-Base interactions energy: -81.040
where: short stacking energy: -73.877
Base-Backbone interact. energy: 0.518
local terms energy: -158.067358
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -42.502
flat angles P-C4'-P energy: -22.609
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -956.445400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.445400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.445400 (E_RNA)
where:
Base-Base interactions energy: -676.195
where: short stacking energy: -280.313
Base-Backbone interact. energy: -1.460
local terms energy: -278.790553
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: -80.404
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: 441
Temperature: 0.950000
Total energy: -942.256462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.256462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.256462 (E_RNA)
where:
Base-Base interactions energy: -664.841
where: short stacking energy: -279.512
Base-Backbone interact. energy: -1.732
local terms energy: -275.683931
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: -84.285
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: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -912.784876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.784876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.784876 (E_RNA)
where:
Base-Base interactions energy: -614.721
where: short stacking energy: -269.543
Base-Backbone interact. energy: 0.083
local terms energy: -298.147275
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -894.518934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.518934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.518934 (E_RNA)
where:
Base-Base interactions energy: -630.871
where: short stacking energy: -251.777
Base-Backbone interact. energy: -0.153
local terms energy: -263.494960
where:
bonds (distance) C4'-P energy: -44.809
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -52.595
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -69.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -822.257722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.257722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.257722 (E_RNA)
where:
Base-Base interactions energy: -567.489
where: short stacking energy: -253.180
Base-Backbone interact. energy: -1.412
local terms energy: -253.356723
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -806.854755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.854755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.854755 (E_RNA)
where:
Base-Base interactions energy: -558.325
where: short stacking energy: -239.720
Base-Backbone interact. energy: -0.404
local terms energy: -248.125463
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -41.643
tors. eta vs tors. theta energy: -65.416
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: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -698.110821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.110821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.110821 (E_RNA)
where:
Base-Base interactions energy: -462.153
where: short stacking energy: -214.364
Base-Backbone interact. energy: -0.211
local terms energy: -235.746316
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -52.358
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -55.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -741.939561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.939561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.939561 (E_RNA)
where:
Base-Base interactions energy: -495.838
where: short stacking energy: -222.089
Base-Backbone interact. energy: -2.120
local terms energy: -243.981660
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -52.331
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -58.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -568.273207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.273207 (E_RNA)
where:
Base-Base interactions energy: -390.425
where: short stacking energy: -164.007
Base-Backbone interact. energy: 0.913
local terms energy: -178.761716
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -38.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -240.271953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.271953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.271953 (E_RNA)
where:
Base-Base interactions energy: -105.308
where: short stacking energy: -87.561
Base-Backbone interact. energy: 3.257
local terms energy: -138.220975
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: 6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -957.956799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.956799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.956799 (E_RNA)
where:
Base-Base interactions energy: -665.707
where: short stacking energy: -289.597
Base-Backbone interact. energy: -1.390
local terms energy: -290.860060
where:
bonds (distance) C4'-P energy: -50.262
bonds (distance) P-C4' energy: -52.298
flat angles C4'-P-C4' energy: -57.528
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -86.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -940.650183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.650183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.650183 (E_RNA)
where:
Base-Base interactions energy: -655.251
where: short stacking energy: -282.030
Base-Backbone interact. energy: -0.626
local terms energy: -284.772398
where:
bonds (distance) C4'-P energy: -48.020
bonds (distance) P-C4' energy: -53.437
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -82.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -911.519016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.519016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.519016 (E_RNA)
where:
Base-Base interactions energy: -641.504
where: short stacking energy: -283.101
Base-Backbone interact. energy: -1.041
local terms energy: -268.974261
where:
bonds (distance) C4'-P energy: -45.440
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -77.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -919.828276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.828276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.828276 (E_RNA)
where:
Base-Base interactions energy: -651.155
where: short stacking energy: -276.836
Base-Backbone interact. energy: -0.274
local terms energy: -268.399729
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -80.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -805.028203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.028203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.028203 (E_RNA)
where:
Base-Base interactions energy: -540.448
where: short stacking energy: -237.242
Base-Backbone interact. energy: -0.647
local terms energy: -263.933143
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -66.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -789.481207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.481207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.481207 (E_RNA)
where:
Base-Base interactions energy: -549.515
where: short stacking energy: -228.062
Base-Backbone interact. energy: 1.724
local terms energy: -241.690662
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -49.665
flat angles C4'-P-C4' energy: -56.118
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -57.866
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -771.817252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.817252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.817252 (E_RNA)
where:
Base-Base interactions energy: -538.039
where: short stacking energy: -234.504
Base-Backbone interact. energy: -0.238
local terms energy: -233.540305
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -57.042
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -669.893594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.893594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.893594 (E_RNA)
where:
Base-Base interactions energy: -453.901
where: short stacking energy: -204.643
Base-Backbone interact. energy: 3.220
local terms energy: -219.212445
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -40.881
flat angles C4'-P-C4' energy: -52.099
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -57.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -581.611478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.611478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.611478 (E_RNA)
where:
Base-Base interactions energy: -395.039
where: short stacking energy: -166.208
Base-Backbone interact. energy: -0.585
local terms energy: -185.987404
where:
bonds (distance) C4'-P energy: -43.140
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -44.790
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -33.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -223.619789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.619789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.619789 (E_RNA)
where:
Base-Base interactions energy: -85.945
where: short stacking energy: -79.867
Base-Backbone interact. energy: -2.022
local terms energy: -135.652457
where:
bonds (distance) C4'-P energy: -41.370
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: 3.705
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: 443
Temperature: 0.900000
Total energy: -978.017943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.017943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.017943 (E_RNA)
where:
Base-Base interactions energy: -662.276
where: short stacking energy: -289.081
Base-Backbone interact. energy: -1.302
local terms energy: -314.440134
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -67.129
flat angles P-C4'-P energy: -47.904
tors. eta vs tors. theta energy: -87.628
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: 443
Temperature: 0.950000
Total energy: -938.938978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.938978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.938978 (E_RNA)
where:
Base-Base interactions energy: -658.995
where: short stacking energy: -293.005
Base-Backbone interact. energy: -0.755
local terms energy: -279.188339
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -49.440
flat angles C4'-P-C4' energy: -57.817
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -81.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -924.345581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.345581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.345581 (E_RNA)
where:
Base-Base interactions energy: -639.517
where: short stacking energy: -279.942
Base-Backbone interact. energy: -1.161
local terms energy: -283.667970
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -85.837
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: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -881.177650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.177650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.177650 (E_RNA)
where:
Base-Base interactions energy: -624.423
where: short stacking energy: -276.014
Base-Backbone interact. energy: -0.677
local terms energy: -256.077858
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -71.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -818.719303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.719303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.719303 (E_RNA)
where:
Base-Base interactions energy: -568.080
where: short stacking energy: -238.424
Base-Backbone interact. energy: -0.137
local terms energy: -250.502029
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -62.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -805.024278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.024278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.024278 (E_RNA)
where:
Base-Base interactions energy: -548.867
where: short stacking energy: -231.521
Base-Backbone interact. energy: 0.227
local terms energy: -256.384210
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -53.292
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -76.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -747.820361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.820361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.820361 (E_RNA)
where:
Base-Base interactions energy: -512.053
where: short stacking energy: -217.234
Base-Backbone interact. energy: -0.260
local terms energy: -235.508333
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -46.545
flat angles C4'-P-C4' energy: -53.716
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -61.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -652.939494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.939494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.939494 (E_RNA)
where:
Base-Base interactions energy: -428.887
where: short stacking energy: -185.445
Base-Backbone interact. energy: 6.568
local terms energy: -230.620235
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -41.601
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -46.549
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -522.800938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.800938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.800938 (E_RNA)
where:
Base-Base interactions energy: -326.643
where: short stacking energy: -140.484
Base-Backbone interact. energy: 2.563
local terms energy: -198.720250
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -30.191
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: 443
Temperature: 1.350000
Total energy: -227.335840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335840 (E_RNA)
where:
Base-Base interactions energy: -94.938
where: short stacking energy: -53.528
Base-Backbone interact. energy: 2.116
local terms energy: -134.513905
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: 8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -967.851320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.851320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.851320 (E_RNA)
where:
Base-Base interactions energy: -681.793
where: short stacking energy: -287.792
Base-Backbone interact. energy: -1.168
local terms energy: -284.889496
where:
bonds (distance) C4'-P energy: -47.097
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -83.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -946.587202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.587202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.587202 (E_RNA)
where:
Base-Base interactions energy: -658.066
where: short stacking energy: -278.626
Base-Backbone interact. energy: -0.700
local terms energy: -287.821271
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -86.180
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: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -922.240965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.240965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.240965 (E_RNA)
where:
Base-Base interactions energy: -641.779
where: short stacking energy: -268.238
Base-Backbone interact. energy: -1.109
local terms energy: -279.352270
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -77.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -905.141992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.141992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.141992 (E_RNA)
where:
Base-Base interactions energy: -616.383
where: short stacking energy: -268.725
Base-Backbone interact. energy: -1.112
local terms energy: -287.646129
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -55.274
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -84.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -839.204299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.204299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.204299 (E_RNA)
where:
Base-Base interactions energy: -563.462
where: short stacking energy: -252.429
Base-Backbone interact. energy: -1.910
local terms energy: -273.833118
where:
bonds (distance) C4'-P energy: -54.574
bonds (distance) P-C4' energy: -49.333
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -40.501
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: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -792.096554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.096554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.096554 (E_RNA)
where:
Base-Base interactions energy: -554.201
where: short stacking energy: -231.960
Base-Backbone interact. energy: -0.343
local terms energy: -237.552047
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -61.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -814.920883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.920883 (E_RNA)
where:
Base-Base interactions energy: -559.429
where: short stacking energy: -235.621
Base-Backbone interact. energy: -0.912
local terms energy: -254.580403
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -56.186
flat angles P-C4'-P energy: -36.642
tors. eta vs tors. theta energy: -71.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -663.401103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.401103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.401103 (E_RNA)
where:
Base-Base interactions energy: -428.809
where: short stacking energy: -189.653
Base-Backbone interact. energy: 1.100
local terms energy: -235.692747
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -58.248
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: 444
Temperature: 1.300000
Total energy: -520.489085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.489085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.489085 (E_RNA)
where:
Base-Base interactions energy: -323.945
where: short stacking energy: -144.001
Base-Backbone interact. energy: 2.092
local terms energy: -198.636574
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -37.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -227.848523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.848523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.848523 (E_RNA)
where:
Base-Base interactions energy: -90.095
where: short stacking energy: -58.830
Base-Backbone interact. energy: 2.317
local terms energy: -140.070979
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: 6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -951.968766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.968766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.968766 (E_RNA)
where:
Base-Base interactions energy: -650.442
where: short stacking energy: -279.316
Base-Backbone interact. energy: 0.044
local terms energy: -301.570453
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -61.764
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -84.461
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: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -931.207178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.207178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.207178 (E_RNA)
where:
Base-Base interactions energy: -656.100
where: short stacking energy: -295.796
Base-Backbone interact. energy: -0.533
local terms energy: -274.574152
where:
bonds (distance) C4'-P energy: -49.292
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -85.459
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: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -932.799637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.799637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.799637 (E_RNA)
where:
Base-Base interactions energy: -651.152
where: short stacking energy: -274.185
Base-Backbone interact. energy: -2.057
local terms energy: -279.590363
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -85.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -895.523455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.523455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.523455 (E_RNA)
where:
Base-Base interactions energy: -633.743
where: short stacking energy: -280.774
Base-Backbone interact. energy: -1.357
local terms energy: -260.423660
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -83.855
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: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -808.782487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.782487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.782487 (E_RNA)
where:
Base-Base interactions energy: -554.798
where: short stacking energy: -251.787
Base-Backbone interact. energy: -0.909
local terms energy: -253.075334
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: -64.741
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: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -828.578410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.578410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.578410 (E_RNA)
where:
Base-Base interactions energy: -567.613
where: short stacking energy: -243.213
Base-Backbone interact. energy: -0.393
local terms energy: -260.573231
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -54.711
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -43.025
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -774.183301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.183301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.183301 (E_RNA)
where:
Base-Base interactions energy: -535.483
where: short stacking energy: -237.126
Base-Backbone interact. energy: 0.778
local terms energy: -239.478632
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -60.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -558.675243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.675243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.675243 (E_RNA)
where:
Base-Base interactions energy: -349.734
where: short stacking energy: -157.713
Base-Backbone interact. energy: -0.472
local terms energy: -208.469226
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -46.765
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -34.222
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: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -612.035597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.035597 (E_RNA)
where:
Base-Base interactions energy: -405.963
where: short stacking energy: -173.410
Base-Backbone interact. energy: -0.060
local terms energy: -206.012428
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -48.099
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -43.042
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: 445
Temperature: 1.350000
Total energy: -235.690126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.690126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.690126 (E_RNA)
where:
Base-Base interactions energy: -81.919
where: short stacking energy: -58.983
Base-Backbone interact. energy: 7.063
local terms energy: -160.833854
where:
bonds (distance) C4'-P energy: -38.408
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -966.495196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.495196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.495196 (E_RNA)
where:
Base-Base interactions energy: -680.488
where: short stacking energy: -286.917
Base-Backbone interact. energy: 0.897
local terms energy: -286.903605
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -60.231
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -83.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -943.146178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.146178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.146178 (E_RNA)
where:
Base-Base interactions energy: -660.408
where: short stacking energy: -290.181
Base-Backbone interact. energy: -1.032
local terms energy: -281.706603
where:
bonds (distance) C4'-P energy: -47.482
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -83.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -933.167554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.167554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.167554 (E_RNA)
where:
Base-Base interactions energy: -651.879
where: short stacking energy: -276.609
Base-Backbone interact. energy: -1.082
local terms energy: -280.206533
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -48.144
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -79.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -945.473435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.473435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.473435 (E_RNA)
where:
Base-Base interactions energy: -654.524
where: short stacking energy: -283.322
Base-Backbone interact. energy: -1.055
local terms energy: -289.893919
where:
bonds (distance) C4'-P energy: -49.713
bonds (distance) P-C4' energy: -51.024
flat angles C4'-P-C4' energy: -57.239
flat angles P-C4'-P energy: -43.533
tors. eta vs tors. theta energy: -88.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -820.738142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.738142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.738142 (E_RNA)
where:
Base-Base interactions energy: -560.953
where: short stacking energy: -235.057
Base-Backbone interact. energy: -0.228
local terms energy: -259.557325
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -51.064
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -66.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -797.138656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.138656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.138656 (E_RNA)
where:
Base-Base interactions energy: -525.936
where: short stacking energy: -222.309
Base-Backbone interact. energy: -2.320
local terms energy: -268.883094
where:
bonds (distance) C4'-P energy: -54.553
bonds (distance) P-C4' energy: -45.643
flat angles C4'-P-C4' energy: -57.520
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -70.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -780.094756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.094756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.094756 (E_RNA)
where:
Base-Base interactions energy: -533.936
where: short stacking energy: -231.428
Base-Backbone interact. energy: -0.105
local terms energy: -246.054149
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -67.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -520.752373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.752373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.752373 (E_RNA)
where:
Base-Base interactions energy: -326.281
where: short stacking energy: -140.922
Base-Backbone interact. energy: -1.290
local terms energy: -193.181753
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -45.772
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -30.026
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: 446
Temperature: 1.300000
Total energy: -610.619343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.619343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.619343 (E_RNA)
where:
Base-Base interactions energy: -394.438
where: short stacking energy: -175.701
Base-Backbone interact. energy: 2.308
local terms energy: -218.489146
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -42.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -224.567109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.567109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.567109 (E_RNA)
where:
Base-Base interactions energy: -74.466
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.670
local terms energy: -149.431001
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -48.846
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: 10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -960.865264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.865264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.865264 (E_RNA)
where:
Base-Base interactions energy: -672.530
where: short stacking energy: -284.989
Base-Backbone interact. energy: -1.080
local terms energy: -287.254623
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -56.315
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -78.850
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -929.713041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.713041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.713041 (E_RNA)
where:
Base-Base interactions energy: -651.919
where: short stacking energy: -286.817
Base-Backbone interact. energy: 1.012
local terms energy: -278.806368
where:
bonds (distance) C4'-P energy: -43.737
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -80.464
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: 447
Temperature: 1.000000
Total energy: -911.359768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.359768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.359768 (E_RNA)
where:
Base-Base interactions energy: -628.420
where: short stacking energy: -273.886
Base-Backbone interact. energy: -0.752
local terms energy: -282.188085
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -56.625
flat angles C4'-P-C4' energy: -58.332
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -82.246
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: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -925.608961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.608961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.608961 (E_RNA)
where:
Base-Base interactions energy: -644.266
where: short stacking energy: -284.990
Base-Backbone interact. energy: -1.510
local terms energy: -279.832890
where:
bonds (distance) C4'-P energy: -45.415
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -84.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -818.287723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.287723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.287723 (E_RNA)
where:
Base-Base interactions energy: -560.555
where: short stacking energy: -241.390
Base-Backbone interact. energy: -0.365
local terms energy: -257.367605
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -54.273
flat angles P-C4'-P energy: -41.431
tors. eta vs tors. theta energy: -64.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -826.340904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.340904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.340904 (E_RNA)
where:
Base-Base interactions energy: -552.019
where: short stacking energy: -241.816
Base-Backbone interact. energy: -0.788
local terms energy: -273.534416
where:
bonds (distance) C4'-P energy: -54.228
bonds (distance) P-C4' energy: -59.091
flat angles C4'-P-C4' energy: -50.880
flat angles P-C4'-P energy: -37.660
tors. eta vs tors. theta energy: -71.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -767.467004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.467004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.467004 (E_RNA)
where:
Base-Base interactions energy: -518.730
where: short stacking energy: -226.684
Base-Backbone interact. energy: 0.645
local terms energy: -249.382125
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -48.998
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -61.816
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -650.315857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.315857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.315857 (E_RNA)
where:
Base-Base interactions energy: -437.228
where: short stacking energy: -190.640
Base-Backbone interact. energy: 0.211
local terms energy: -213.299070
where:
bonds (distance) C4'-P energy: -44.056
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -45.094
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -55.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -543.549119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.549119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.549119 (E_RNA)
where:
Base-Base interactions energy: -334.714
where: short stacking energy: -147.049
Base-Backbone interact. energy: -1.469
local terms energy: -207.366042
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -47.289
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -34.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -220.638198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.638198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.638198 (E_RNA)
where:
Base-Base interactions energy: -85.044
where: short stacking energy: -62.241
Base-Backbone interact. energy: 1.531
local terms energy: -137.125556
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -43.160
flat angles C4'-P-C4' energy: -30.690
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -959.990531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.990531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.990531 (E_RNA)
where:
Base-Base interactions energy: -672.016
where: short stacking energy: -288.018
Base-Backbone interact. energy: 0.493
local terms energy: -288.467737
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -87.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -949.814599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.814599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.814599 (E_RNA)
where:
Base-Base interactions energy: -662.244
where: short stacking energy: -282.676
Base-Backbone interact. energy: 0.501
local terms energy: -288.071753
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -82.670
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: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -897.959570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.959570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.959570 (E_RNA)
where:
Base-Base interactions energy: -632.488
where: short stacking energy: -266.722
Base-Backbone interact. energy: -0.670
local terms energy: -264.801600
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -49.534
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -33.171
tors. eta vs tors. theta energy: -81.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -901.462234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.462234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.462234 (E_RNA)
where:
Base-Base interactions energy: -627.919
where: short stacking energy: -257.818
Base-Backbone interact. energy: -1.426
local terms energy: -272.116447
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -48.781
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -40.470
tors. eta vs tors. theta energy: -82.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -808.584146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.584146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.584146 (E_RNA)
where:
Base-Base interactions energy: -559.750
where: short stacking energy: -220.629
Base-Backbone interact. energy: -0.825
local terms energy: -248.008832
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -43.670
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: -65.304
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: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -772.567915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.567915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.567915 (E_RNA)
where:
Base-Base interactions energy: -531.233
where: short stacking energy: -231.511
Base-Backbone interact. energy: 0.457
local terms energy: -241.791683
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -54.324
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -56.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -675.129904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.129904 (E_RNA)
where:
Base-Base interactions energy: -457.494
where: short stacking energy: -199.126
Base-Backbone interact. energy: -1.000
local terms energy: -216.635527
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -744.104216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.104216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.104216 (E_RNA)
where:
Base-Base interactions energy: -523.283
where: short stacking energy: -216.592
Base-Backbone interact. energy: -1.595
local terms energy: -219.225744
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -54.217
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: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -515.998439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.998439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.998439 (E_RNA)
where:
Base-Base interactions energy: -320.330
where: short stacking energy: -146.269
Base-Backbone interact. energy: -1.480
local terms energy: -194.187883
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -28.122
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -235.008599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.008599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.008599 (E_RNA)
where:
Base-Base interactions energy: -83.081
where: short stacking energy: -69.519
Base-Backbone interact. energy: -4.040
local terms energy: -147.887215
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: 6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -965.332261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.332261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.332261 (E_RNA)
where:
Base-Base interactions energy: -667.741
where: short stacking energy: -301.481
Base-Backbone interact. energy: -1.235
local terms energy: -296.356614
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -87.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -944.002574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.002574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.002574 (E_RNA)
where:
Base-Base interactions energy: -656.381
where: short stacking energy: -288.805
Base-Backbone interact. energy: -1.231
local terms energy: -286.390041
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -58.093
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -85.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -924.416815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.416815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.416815 (E_RNA)
where:
Base-Base interactions energy: -635.311
where: short stacking energy: -274.405
Base-Backbone interact. energy: -1.190
local terms energy: -287.916031
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -49.269
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -55.215
tors. eta vs tors. theta energy: -77.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -905.309831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.309831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.309831 (E_RNA)
where:
Base-Base interactions energy: -621.126
where: short stacking energy: -268.562
Base-Backbone interact. energy: -1.363
local terms energy: -282.821744
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -57.477
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -88.576
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: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -845.142794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.142794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.142794 (E_RNA)
where:
Base-Base interactions energy: -569.485
where: short stacking energy: -251.982
Base-Backbone interact. energy: -1.024
local terms energy: -274.633526
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -52.618
flat angles C4'-P-C4' energy: -51.392
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -72.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -794.794260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.794260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.794260 (E_RNA)
where:
Base-Base interactions energy: -544.440
where: short stacking energy: -240.330
Base-Backbone interact. energy: 0.605
local terms energy: -250.958835
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -53.290
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: -65.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -688.877626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.877626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.877626 (E_RNA)
where:
Base-Base interactions energy: -465.238
where: short stacking energy: -205.234
Base-Backbone interact. energy: 1.008
local terms energy: -224.647703
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -47.656
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -53.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -743.485129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.485129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.485129 (E_RNA)
where:
Base-Base interactions energy: -526.922
where: short stacking energy: -232.998
Base-Backbone interact. energy: 1.965
local terms energy: -218.528172
where:
bonds (distance) C4'-P energy: -42.573
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -52.882
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -542.782411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.782411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.782411 (E_RNA)
where:
Base-Base interactions energy: -336.720
where: short stacking energy: -170.745
Base-Backbone interact. energy: -0.787
local terms energy: -205.275500
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -50.236
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -40.512
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: 449
Temperature: 1.350000
Total energy: -207.381048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.381048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.381048 (E_RNA)
where:
Base-Base interactions energy: -57.578
where: short stacking energy: -57.043
Base-Backbone interact. energy: 2.438
local terms energy: -152.241235
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: 0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -964.330838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.330838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.330838 (E_RNA)
where:
Base-Base interactions energy: -667.051
where: short stacking energy: -286.132
Base-Backbone interact. energy: -0.922
local terms energy: -296.358112
where:
bonds (distance) C4'-P energy: -54.670
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -89.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -963.536081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.536081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.536081 (E_RNA)
where:
Base-Base interactions energy: -667.233
where: short stacking energy: -287.030
Base-Backbone interact. energy: -1.268
local terms energy: -295.035023
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -58.649
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -81.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -929.967143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.967143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.967143 (E_RNA)
where:
Base-Base interactions energy: -646.208
where: short stacking energy: -269.997
Base-Backbone interact. energy: -1.069
local terms energy: -282.689391
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -45.200
tors. eta vs tors. theta energy: -86.960
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: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -909.148930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.148930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.148930 (E_RNA)
where:
Base-Base interactions energy: -625.549
where: short stacking energy: -270.778
Base-Backbone interact. energy: -0.645
local terms energy: -282.954742
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -64.559
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -75.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -815.461352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.461352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.461352 (E_RNA)
where:
Base-Base interactions energy: -558.081
where: short stacking energy: -248.116
Base-Backbone interact. energy: -0.232
local terms energy: -257.148603
where:
bonds (distance) C4'-P energy: -41.138
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -73.297
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: 450
Temperature: 1.150000
Total energy: -832.879056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.879056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.879056 (E_RNA)
where:
Base-Base interactions energy: -575.556
where: short stacking energy: -251.126
Base-Backbone interact. energy: 0.206
local terms energy: -257.529314
where:
bonds (distance) C4'-P energy: -42.255
bonds (distance) P-C4' energy: -46.311
flat angles C4'-P-C4' energy: -53.803
flat angles P-C4'-P energy: -39.566
tors. eta vs tors. theta energy: -75.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -756.920216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.920216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.920216 (E_RNA)
where:
Base-Base interactions energy: -524.208
where: short stacking energy: -224.219
Base-Backbone interact. energy: -0.867
local terms energy: -231.844906
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -55.855
flat angles C4'-P-C4' energy: -49.345
flat angles P-C4'-P energy: -27.832
tors. eta vs tors. theta energy: -66.896
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -687.645470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.645470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.645470 (E_RNA)
where:
Base-Base interactions energy: -475.126
where: short stacking energy: -203.320
Base-Backbone interact. energy: -0.131
local terms energy: -212.388430
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -53.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -504.973893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.973893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.973893 (E_RNA)
where:
Base-Base interactions energy: -326.771
where: short stacking energy: -149.784
Base-Backbone interact. energy: 0.640
local terms energy: -178.843716
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -31.087
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: 450
Temperature: 1.350000
Total energy: -243.829352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.829352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.829352 (E_RNA)
where:
Base-Base interactions energy: -113.527
where: short stacking energy: -76.142
Base-Backbone interact. energy: 2.059
local terms energy: -132.361341
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: 3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -969.800081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.800081 (E_RNA)
where:
Base-Base interactions energy: -665.630
where: short stacking energy: -295.126
Base-Backbone interact. energy: -0.555
local terms energy: -303.615219
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -91.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -945.650641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.650641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.650641 (E_RNA)
where:
Base-Base interactions energy: -652.716
where: short stacking energy: -276.288
Base-Backbone interact. energy: -1.049
local terms energy: -291.884796
where:
bonds (distance) C4'-P energy: -48.437
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -55.388
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -84.197
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -915.480081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.480081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.480081 (E_RNA)
where:
Base-Base interactions energy: -625.389
where: short stacking energy: -262.201
Base-Backbone interact. energy: -0.558
local terms energy: -289.533622
where:
bonds (distance) C4'-P energy: -54.352
bonds (distance) P-C4' energy: -54.452
flat angles C4'-P-C4' energy: -59.615
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -81.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -908.922850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.922850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.922850 (E_RNA)
where:
Base-Base interactions energy: -631.212
where: short stacking energy: -279.784
Base-Backbone interact. energy: -1.255
local terms energy: -276.456084
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -57.790
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -80.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -806.537234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.537234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.537234 (E_RNA)
where:
Base-Base interactions energy: -545.873
where: short stacking energy: -234.907
Base-Backbone interact. energy: -0.032
local terms energy: -260.631970
where:
bonds (distance) C4'-P energy: -45.005
bonds (distance) P-C4' energy: -46.794
flat angles C4'-P-C4' energy: -55.587
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -71.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -819.451114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.451114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.451114 (E_RNA)
where:
Base-Base interactions energy: -565.591
where: short stacking energy: -252.961
Base-Backbone interact. energy: -1.171
local terms energy: -252.689832
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -65.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -773.357271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.357271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.357271 (E_RNA)
where:
Base-Base interactions energy: -537.470
where: short stacking energy: -209.952
Base-Backbone interact. energy: 1.017
local terms energy: -236.904074
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -54.591
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -60.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -672.953533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.953533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.953533 (E_RNA)
where:
Base-Base interactions energy: -446.478
where: short stacking energy: -189.410
Base-Backbone interact. energy: 0.212
local terms energy: -226.687112
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -44.878
flat angles C4'-P-C4' energy: -62.847
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -52.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -532.087216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.087216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.087216 (E_RNA)
where:
Base-Base interactions energy: -327.216
where: short stacking energy: -164.652
Base-Backbone interact. energy: 1.087
local terms energy: -205.957894
where:
bonds (distance) C4'-P energy: -43.502
bonds (distance) P-C4' energy: -39.728
flat angles C4'-P-C4' energy: -42.955
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -46.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -258.215996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.215996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.215996 (E_RNA)
where:
Base-Base interactions energy: -94.464
where: short stacking energy: -86.254
Base-Backbone interact. energy: 0.682
local terms energy: -164.434344
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -6.453
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: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -959.964964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.964964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.964964 (E_RNA)
where:
Base-Base interactions energy: -667.514
where: short stacking energy: -295.450
Base-Backbone interact. energy: -1.703
local terms energy: -290.748189
where:
bonds (distance) C4'-P energy: -52.362
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -35.888
tors. eta vs tors. theta energy: -92.756
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: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -945.529853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.529853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.529853 (E_RNA)
where:
Base-Base interactions energy: -651.390
where: short stacking energy: -285.739
Base-Backbone interact. energy: 0.016
local terms energy: -294.155968
where:
bonds (distance) C4'-P energy: -48.288
bonds (distance) P-C4' energy: -58.566
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -87.565
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -918.800396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.800396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.800396 (E_RNA)
where:
Base-Base interactions energy: -637.720
where: short stacking energy: -282.308
Base-Backbone interact. energy: -1.620
local terms energy: -279.460007
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -58.196
flat angles P-C4'-P energy: -48.095
tors. eta vs tors. theta energy: -85.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -907.097433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.097433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.097433 (E_RNA)
where:
Base-Base interactions energy: -643.361
where: short stacking energy: -269.358
Base-Backbone interact. energy: 0.270
local terms energy: -264.005982
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -55.120
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -83.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -831.575001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.575001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.575001 (E_RNA)
where:
Base-Base interactions energy: -580.322
where: short stacking energy: -257.576
Base-Backbone interact. energy: -0.502
local terms energy: -250.750979
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -71.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -799.176138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.176138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.176138 (E_RNA)
where:
Base-Base interactions energy: -546.684
where: short stacking energy: -234.945
Base-Backbone interact. energy: 0.349
local terms energy: -252.841017
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -67.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -766.465233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.465233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.465233 (E_RNA)
where:
Base-Base interactions energy: -521.779
where: short stacking energy: -232.358
Base-Backbone interact. energy: -1.249
local terms energy: -243.436896
where:
bonds (distance) C4'-P energy: -42.507
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -42.557
flat angles P-C4'-P energy: -37.494
tors. eta vs tors. theta energy: -67.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -667.824328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.824328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.824328 (E_RNA)
where:
Base-Base interactions energy: -447.812
where: short stacking energy: -193.269
Base-Backbone interact. energy: -0.503
local terms energy: -219.509342
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -52.465
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -53.635
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: 452
Temperature: 1.300000
Total energy: -529.273087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.273087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.273087 (E_RNA)
where:
Base-Base interactions energy: -311.353
where: short stacking energy: -156.833
Base-Backbone interact. energy: -0.443
local terms energy: -217.476837
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -52.218
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -34.233
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: 452
Temperature: 1.350000
Total energy: -227.451763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.451763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.451763 (E_RNA)
where:
Base-Base interactions energy: -85.597
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.921
local terms energy: -140.933889
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -49.304
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: 6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -963.268331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.268331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.268331 (E_RNA)
where:
Base-Base interactions energy: -662.208
where: short stacking energy: -283.258
Base-Backbone interact. energy: -0.890
local terms energy: -300.170490
where:
bonds (distance) C4'-P energy: -50.594
bonds (distance) P-C4' energy: -56.629
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -88.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -955.377767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.377767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.377767 (E_RNA)
where:
Base-Base interactions energy: -666.326
where: short stacking energy: -286.123
Base-Backbone interact. energy: -0.713
local terms energy: -288.339079
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -48.978
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -43.326
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -922.318156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.318156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.318156 (E_RNA)
where:
Base-Base interactions energy: -649.584
where: short stacking energy: -280.174
Base-Backbone interact. energy: -0.079
local terms energy: -272.655265
where:
bonds (distance) C4'-P energy: -43.347
bonds (distance) P-C4' energy: -46.672
flat angles C4'-P-C4' energy: -63.721
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -81.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -897.930734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.930734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.930734 (E_RNA)
where:
Base-Base interactions energy: -625.646
where: short stacking energy: -259.272
Base-Backbone interact. energy: -0.689
local terms energy: -271.596045
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -78.447
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: 453
Temperature: 1.100000
Total energy: -833.174718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.174718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.174718 (E_RNA)
where:
Base-Base interactions energy: -573.470
where: short stacking energy: -230.335
Base-Backbone interact. energy: 0.042
local terms energy: -259.746212
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -60.398
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: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -764.245968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.245968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.245968 (E_RNA)
where:
Base-Base interactions energy: -519.102
where: short stacking energy: -227.673
Base-Backbone interact. energy: -0.432
local terms energy: -244.711983
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -63.773
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -751.459029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.459029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.459029 (E_RNA)
where:
Base-Base interactions energy: -525.702
where: short stacking energy: -217.542
Base-Backbone interact. energy: 0.351
local terms energy: -226.107442
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -51.480
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -56.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -695.769963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.769963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.769963 (E_RNA)
where:
Base-Base interactions energy: -475.163
where: short stacking energy: -212.383
Base-Backbone interact. energy: -0.312
local terms energy: -220.294596
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -53.207
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -62.025
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: 453
Temperature: 1.300000
Total energy: -508.406640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.406640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.406640 (E_RNA)
where:
Base-Base interactions energy: -302.609
where: short stacking energy: -143.808
Base-Backbone interact. energy: -0.662
local terms energy: -205.135491
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -37.480
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: 453
Temperature: 1.350000
Total energy: -234.905129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.905129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.905129 (E_RNA)
where:
Base-Base interactions energy: -101.255
where: short stacking energy: -69.149
Base-Backbone interact. energy: 0.615
local terms energy: -134.265832
where:
bonds (distance) C4'-P energy: -41.489
bonds (distance) P-C4' energy: -45.703
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: 2.427
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: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -971.025225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.025225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.025225 (E_RNA)
where:
Base-Base interactions energy: -679.798
where: short stacking energy: -291.388
Base-Backbone interact. energy: -0.764
local terms energy: -290.464019
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -62.501
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: -80.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -955.919107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.919107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.919107 (E_RNA)
where:
Base-Base interactions energy: -664.124
where: short stacking energy: -294.752
Base-Backbone interact. energy: 0.302
local terms energy: -292.097940
where:
bonds (distance) C4'-P energy: -51.505
bonds (distance) P-C4' energy: -46.412
flat angles C4'-P-C4' energy: -66.090
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -88.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -918.681261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.681261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.681261 (E_RNA)
where:
Base-Base interactions energy: -646.488
where: short stacking energy: -265.236
Base-Backbone interact. energy: -0.324
local terms energy: -271.869675
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -53.415
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -71.541
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: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -908.813749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.813749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.813749 (E_RNA)
where:
Base-Base interactions energy: -631.559
where: short stacking energy: -270.516
Base-Backbone interact. energy: -0.471
local terms energy: -276.783273
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -44.139
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: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -802.629112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.629112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.629112 (E_RNA)
where:
Base-Base interactions energy: -546.974
where: short stacking energy: -235.566
Base-Backbone interact. energy: -0.305
local terms energy: -255.350017
where:
bonds (distance) C4'-P energy: -49.227
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -59.352
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -59.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -744.857195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.857195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.857195 (E_RNA)
where:
Base-Base interactions energy: -520.225
where: short stacking energy: -215.199
Base-Backbone interact. energy: -0.666
local terms energy: -223.966056
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -49.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -775.867265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.867265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.867265 (E_RNA)
where:
Base-Base interactions energy: -537.574
where: short stacking energy: -231.778
Base-Backbone interact. energy: -0.499
local terms energy: -237.794354
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -59.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -669.832422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.832422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.832422 (E_RNA)
where:
Base-Base interactions energy: -455.366
where: short stacking energy: -207.487
Base-Backbone interact. energy: 0.362
local terms energy: -214.828685
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -55.511
flat angles P-C4'-P energy: -33.466
tors. eta vs tors. theta energy: -59.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -541.688985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.688985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.688985 (E_RNA)
where:
Base-Base interactions energy: -353.592
where: short stacking energy: -172.338
Base-Backbone interact. energy: -0.000
local terms energy: -188.097015
where:
bonds (distance) C4'-P energy: -40.181
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -47.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -216.275323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.275323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.275323 (E_RNA)
where:
Base-Base interactions energy: -74.502
where: short stacking energy: -70.598
Base-Backbone interact. energy: -1.023
local terms energy: -140.750067
where:
bonds (distance) C4'-P energy: -34.486
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -984.526553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.526553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.526553 (E_RNA)
where:
Base-Base interactions energy: -680.257
where: short stacking energy: -290.573
Base-Backbone interact. energy: -0.615
local terms energy: -303.654339
where:
bonds (distance) C4'-P energy: -55.346
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -86.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -927.902073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.902073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.902073 (E_RNA)
where:
Base-Base interactions energy: -651.057
where: short stacking energy: -270.061
Base-Backbone interact. energy: -1.800
local terms energy: -275.045143
where:
bonds (distance) C4'-P energy: -49.827
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -75.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -932.516031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.516031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.516031 (E_RNA)
where:
Base-Base interactions energy: -649.409
where: short stacking energy: -281.468
Base-Backbone interact. energy: -1.061
local terms energy: -282.045744
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -48.496
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -88.782
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: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -909.687208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.687208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.687208 (E_RNA)
where:
Base-Base interactions energy: -624.871
where: short stacking energy: -261.435
Base-Backbone interact. energy: -0.775
local terms energy: -284.041220
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -52.141
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: -79.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -808.661902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.661902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.661902 (E_RNA)
where:
Base-Base interactions energy: -558.508
where: short stacking energy: -231.473
Base-Backbone interact. energy: 0.327
local terms energy: -250.480968
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -59.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -792.735014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.735014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.735014 (E_RNA)
where:
Base-Base interactions energy: -537.339
where: short stacking energy: -228.872
Base-Backbone interact. energy: -0.253
local terms energy: -255.142518
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -51.584
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -63.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -724.322270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.322270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.322270 (E_RNA)
where:
Base-Base interactions energy: -503.478
where: short stacking energy: -217.777
Base-Backbone interact. energy: -1.422
local terms energy: -219.422255
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -52.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -687.109387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.109387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.109387 (E_RNA)
where:
Base-Base interactions energy: -462.011
where: short stacking energy: -200.240
Base-Backbone interact. energy: -0.252
local terms energy: -224.846480
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -51.567
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -55.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -570.322691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.322691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.322691 (E_RNA)
where:
Base-Base interactions energy: -396.205
where: short stacking energy: -171.241
Base-Backbone interact. energy: -1.110
local terms energy: -173.008238
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -236.640949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.640949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.640949 (E_RNA)
where:
Base-Base interactions energy: -100.850
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.008
local terms energy: -135.782420
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -963.270598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.270598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.270598 (E_RNA)
where:
Base-Base interactions energy: -665.569
where: short stacking energy: -282.534
Base-Backbone interact. energy: -0.822
local terms energy: -296.879689
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -85.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -946.701867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.701867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.701867 (E_RNA)
where:
Base-Base interactions energy: -665.884
where: short stacking energy: -281.859
Base-Backbone interact. energy: -0.699
local terms energy: -280.118928
where:
bonds (distance) C4'-P energy: -51.215
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -65.593
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -76.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -939.058951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.058951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.058951 (E_RNA)
where:
Base-Base interactions energy: -639.940
where: short stacking energy: -276.971
Base-Backbone interact. energy: -0.070
local terms energy: -299.049631
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -57.454
flat angles C4'-P-C4' energy: -67.457
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -81.898
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: 456
Temperature: 1.050000
Total energy: -928.411309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.411309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.411309 (E_RNA)
where:
Base-Base interactions energy: -650.713
where: short stacking energy: -285.044
Base-Backbone interact. energy: -1.025
local terms energy: -276.672985
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -83.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -793.410052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.410052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.410052 (E_RNA)
where:
Base-Base interactions energy: -564.218
where: short stacking energy: -225.082
Base-Backbone interact. energy: 0.484
local terms energy: -229.676099
where:
bonds (distance) C4'-P energy: -48.541
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -50.710
flat angles P-C4'-P energy: -31.694
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -806.244063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.244063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.244063 (E_RNA)
where:
Base-Base interactions energy: -557.851
where: short stacking energy: -248.640
Base-Backbone interact. energy: 0.570
local terms energy: -248.962784
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -46.435
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -65.327
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: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -736.547446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.547446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.547446 (E_RNA)
where:
Base-Base interactions energy: -513.093
where: short stacking energy: -212.382
Base-Backbone interact. energy: 0.002
local terms energy: -223.456351
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -27.784
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -656.393425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.393425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.393425 (E_RNA)
where:
Base-Base interactions energy: -446.136
where: short stacking energy: -200.845
Base-Backbone interact. energy: -1.166
local terms energy: -209.091455
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -43.053
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: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -576.615942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.615942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.615942 (E_RNA)
where:
Base-Base interactions energy: -386.014
where: short stacking energy: -178.423
Base-Backbone interact. energy: -0.295
local terms energy: -190.306914
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -43.656
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -43.554
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: 456
Temperature: 1.350000
Total energy: -262.660880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.660880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.660880 (E_RNA)
where:
Base-Base interactions energy: -112.723
where: short stacking energy: -66.953
Base-Backbone interact. energy: -1.550
local terms energy: -148.387701
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -981.401582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.401582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.401582 (E_RNA)
where:
Base-Base interactions energy: -688.535
where: short stacking energy: -302.754
Base-Backbone interact. energy: -1.199
local terms energy: -291.668497
where:
bonds (distance) C4'-P energy: -46.781
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -62.038
flat angles P-C4'-P energy: -40.112
tors. eta vs tors. theta energy: -86.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -944.950575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.950575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.950575 (E_RNA)
where:
Base-Base interactions energy: -652.595
where: short stacking energy: -295.192
Base-Backbone interact. energy: -0.547
local terms energy: -291.808307
where:
bonds (distance) C4'-P energy: -52.731
bonds (distance) P-C4' energy: -54.776
flat angles C4'-P-C4' energy: -61.120
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: -87.156
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: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -919.274053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.274053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.274053 (E_RNA)
where:
Base-Base interactions energy: -636.655
where: short stacking energy: -261.204
Base-Backbone interact. energy: 2.177
local terms energy: -284.795216
where:
bonds (distance) C4'-P energy: -50.140
bonds (distance) P-C4' energy: -51.877
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -82.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -892.970649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.970649 (E_RNA)
where:
Base-Base interactions energy: -626.157
where: short stacking energy: -251.541
Base-Backbone interact. energy: -0.701
local terms energy: -266.113175
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -48.256
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -80.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -805.370121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.370121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.370121 (E_RNA)
where:
Base-Base interactions energy: -559.934
where: short stacking energy: -220.801
Base-Backbone interact. energy: -0.980
local terms energy: -244.455460
where:
bonds (distance) C4'-P energy: -44.898
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -64.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -794.938370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.938370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.938370 (E_RNA)
where:
Base-Base interactions energy: -547.735
where: short stacking energy: -233.423
Base-Backbone interact. energy: -1.161
local terms energy: -246.042445
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -45.424
flat angles C4'-P-C4' energy: -54.358
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -68.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -745.234376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.234376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.234376 (E_RNA)
where:
Base-Base interactions energy: -490.771
where: short stacking energy: -213.217
Base-Backbone interact. energy: -0.755
local terms energy: -253.708254
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -63.183
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -685.908343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.908343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.908343 (E_RNA)
where:
Base-Base interactions energy: -449.148
where: short stacking energy: -222.484
Base-Backbone interact. energy: 0.179
local terms energy: -236.938714
where:
bonds (distance) C4'-P energy: -41.348
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -52.938
flat angles P-C4'-P energy: -35.495
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: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -531.774407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.774407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.774407 (E_RNA)
where:
Base-Base interactions energy: -319.663
where: short stacking energy: -158.017
Base-Backbone interact. energy: -0.278
local terms energy: -211.834239
where:
bonds (distance) C4'-P energy: -47.692
bonds (distance) P-C4' energy: -47.262
flat angles C4'-P-C4' energy: -51.421
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -302.482596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.482596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.482596 (E_RNA)
where:
Base-Base interactions energy: -140.923
where: short stacking energy: -70.626
Base-Backbone interact. energy: -1.763
local terms energy: -159.796709
where:
bonds (distance) C4'-P energy: -33.552
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -955.520817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.520817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.520817 (E_RNA)
where:
Base-Base interactions energy: -658.449
where: short stacking energy: -278.534
Base-Backbone interact. energy: -2.053
local terms energy: -295.018280
where:
bonds (distance) C4'-P energy: -55.635
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -62.204
flat angles P-C4'-P energy: -40.156
tors. eta vs tors. theta energy: -86.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -952.247671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.247671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.247671 (E_RNA)
where:
Base-Base interactions energy: -658.731
where: short stacking energy: -289.144
Base-Backbone interact. energy: -0.919
local terms energy: -292.598512
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -55.901
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -89.575
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: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -908.088913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.088913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.088913 (E_RNA)
where:
Base-Base interactions energy: -633.476
where: short stacking energy: -272.846
Base-Backbone interact. energy: -1.053
local terms energy: -273.559945
where:
bonds (distance) C4'-P energy: -47.238
bonds (distance) P-C4' energy: -40.561
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -77.652
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: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -896.920768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.920768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.920768 (E_RNA)
where:
Base-Base interactions energy: -614.433
where: short stacking energy: -245.045
Base-Backbone interact. energy: -1.007
local terms energy: -281.481063
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -80.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -820.456416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.456416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.456416 (E_RNA)
where:
Base-Base interactions energy: -559.925
where: short stacking energy: -224.045
Base-Backbone interact. energy: 0.311
local terms energy: -260.842246
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -56.476
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -67.551
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: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -808.251290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.251290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.251290 (E_RNA)
where:
Base-Base interactions energy: -555.042
where: short stacking energy: -240.298
Base-Backbone interact. energy: 2.508
local terms energy: -255.717223
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -51.581
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -68.283
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: 458
Temperature: 1.200000
Total energy: -733.737911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.737911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.737911 (E_RNA)
where:
Base-Base interactions energy: -491.437
where: short stacking energy: -200.996
Base-Backbone interact. energy: -1.137
local terms energy: -241.164184
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -57.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -669.501145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.501145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.501145 (E_RNA)
where:
Base-Base interactions energy: -442.961
where: short stacking energy: -201.690
Base-Backbone interact. energy: -0.222
local terms energy: -226.318023
where:
bonds (distance) C4'-P energy: -38.912
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -53.997
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: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -518.097048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.097048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.097048 (E_RNA)
where:
Base-Base interactions energy: -323.523
where: short stacking energy: -154.921
Base-Backbone interact. energy: -1.717
local terms energy: -192.856850
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -37.733
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -36.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -309.930584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.930584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.930584 (E_RNA)
where:
Base-Base interactions energy: -172.162
where: short stacking energy: -98.031
Base-Backbone interact. energy: -0.579
local terms energy: -137.189746
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -41.007
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -31.963
tors. eta vs tors. theta energy: 5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -967.859272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.859272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.859272 (E_RNA)
where:
Base-Base interactions energy: -675.288
where: short stacking energy: -290.670
Base-Backbone interact. energy: -1.307
local terms energy: -291.264601
where:
bonds (distance) C4'-P energy: -54.521
bonds (distance) P-C4' energy: -56.126
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -79.034
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: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -945.912985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.912985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.912985 (E_RNA)
where:
Base-Base interactions energy: -657.202
where: short stacking energy: -286.982
Base-Backbone interact. energy: -1.342
local terms energy: -287.368328
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -42.579
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -926.247695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.247695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.247695 (E_RNA)
where:
Base-Base interactions energy: -656.861
where: short stacking energy: -266.996
Base-Backbone interact. energy: -0.515
local terms energy: -268.872397
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -42.587
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: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -901.828090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.828090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.828090 (E_RNA)
where:
Base-Base interactions energy: -630.456
where: short stacking energy: -267.296
Base-Backbone interact. energy: 0.452
local terms energy: -271.824308
where:
bonds (distance) C4'-P energy: -46.214
bonds (distance) P-C4' energy: -45.475
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -831.648017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.648017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.648017 (E_RNA)
where:
Base-Base interactions energy: -578.093
where: short stacking energy: -241.902
Base-Backbone interact. energy: -1.035
local terms energy: -252.520036
where:
bonds (distance) C4'-P energy: -45.647
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -58.485
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -67.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -800.485366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.485366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.485366 (E_RNA)
where:
Base-Base interactions energy: -549.778
where: short stacking energy: -233.793
Base-Backbone interact. energy: -0.761
local terms energy: -249.945745
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -50.626
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -68.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -767.980543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.980543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.980543 (E_RNA)
where:
Base-Base interactions energy: -534.855
where: short stacking energy: -229.889
Base-Backbone interact. energy: 1.185
local terms energy: -234.310916
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -47.123
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -63.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -664.915484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.915484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.915484 (E_RNA)
where:
Base-Base interactions energy: -454.475
where: short stacking energy: -207.500
Base-Backbone interact. energy: -0.505
local terms energy: -209.936258
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -49.036
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: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -537.472755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.472755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.472755 (E_RNA)
where:
Base-Base interactions energy: -330.138
where: short stacking energy: -152.089
Base-Backbone interact. energy: -0.405
local terms energy: -206.930256
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -31.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -286.263065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.263065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.263065 (E_RNA)
where:
Base-Base interactions energy: -148.162
where: short stacking energy: -71.158
Base-Backbone interact. energy: -1.314
local terms energy: -136.787431
where:
bonds (distance) C4'-P energy: -45.166
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: 8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -967.623440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.623440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.623440 (E_RNA)
where:
Base-Base interactions energy: -665.822
where: short stacking energy: -288.594
Base-Backbone interact. energy: -0.572
local terms energy: -301.229187
where:
bonds (distance) C4'-P energy: -56.654
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -62.597
flat angles P-C4'-P energy: -43.077
tors. eta vs tors. theta energy: -86.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -942.167465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.167465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.167465 (E_RNA)
where:
Base-Base interactions energy: -660.468
where: short stacking energy: -282.599
Base-Backbone interact. energy: -1.400
local terms energy: -280.299503
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -81.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -939.404308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.404308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.404308 (E_RNA)
where:
Base-Base interactions energy: -659.913
where: short stacking energy: -281.725
Base-Backbone interact. energy: -0.635
local terms energy: -278.855810
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -56.407
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -86.777
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -922.549564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.549564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.549564 (E_RNA)
where:
Base-Base interactions energy: -633.272
where: short stacking energy: -273.258
Base-Backbone interact. energy: -0.886
local terms energy: -288.391659
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -49.444
flat angles C4'-P-C4' energy: -58.099
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: -86.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -812.455620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.455620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.455620 (E_RNA)
where:
Base-Base interactions energy: -558.310
where: short stacking energy: -230.847
Base-Backbone interact. energy: -0.815
local terms energy: -253.330689
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -67.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -796.488566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.488566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.488566 (E_RNA)
where:
Base-Base interactions energy: -561.719
where: short stacking energy: -238.219
Base-Backbone interact. energy: 0.077
local terms energy: -234.846526
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -66.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -792.117573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.117573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.117573 (E_RNA)
where:
Base-Base interactions energy: -547.385
where: short stacking energy: -226.599
Base-Backbone interact. energy: -1.250
local terms energy: -243.482896
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: -60.504
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: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -657.510910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.510910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.510910 (E_RNA)
where:
Base-Base interactions energy: -443.988
where: short stacking energy: -196.131
Base-Backbone interact. energy: -0.188
local terms energy: -213.334819
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -541.058191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.058191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.058191 (E_RNA)
where:
Base-Base interactions energy: -335.744
where: short stacking energy: -153.903
Base-Backbone interact. energy: -1.143
local terms energy: -204.171513
where:
bonds (distance) C4'-P energy: -47.570
bonds (distance) P-C4' energy: -40.096
flat angles C4'-P-C4' energy: -44.590
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -38.752
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: 460
Temperature: 1.350000
Total energy: -254.946201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.946201 (E_RNA)
where:
Base-Base interactions energy: -102.951
where: short stacking energy: -77.540
Base-Backbone interact. energy: 1.931
local terms energy: -153.925874
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -949.908770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.908770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.908770 (E_RNA)
where:
Base-Base interactions energy: -643.065
where: short stacking energy: -267.432
Base-Backbone interact. energy: -1.174
local terms energy: -305.669907
where:
bonds (distance) C4'-P energy: -56.655
bonds (distance) P-C4' energy: -61.169
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -81.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -950.021933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.021933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.021933 (E_RNA)
where:
Base-Base interactions energy: -658.023
where: short stacking energy: -281.065
Base-Backbone interact. energy: -1.151
local terms energy: -290.848026
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -52.753
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -86.275
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: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -927.944637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.944637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.944637 (E_RNA)
where:
Base-Base interactions energy: -651.764
where: short stacking energy: -281.373
Base-Backbone interact. energy: -0.390
local terms energy: -275.790087
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -81.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -850.453219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.453219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.453219 (E_RNA)
where:
Base-Base interactions energy: -581.068
where: short stacking energy: -257.431
Base-Backbone interact. energy: -0.247
local terms energy: -269.137905
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -49.928
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -75.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -871.707010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.707010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.707010 (E_RNA)
where:
Base-Base interactions energy: -611.002
where: short stacking energy: -266.906
Base-Backbone interact. energy: -1.744
local terms energy: -258.961484
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -82.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -788.580423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.580423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.580423 (E_RNA)
where:
Base-Base interactions energy: -538.152
where: short stacking energy: -225.256
Base-Backbone interact. energy: -0.043
local terms energy: -250.385931
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -67.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -801.672372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.672372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.672372 (E_RNA)
where:
Base-Base interactions energy: -545.299
where: short stacking energy: -241.172
Base-Backbone interact. energy: -0.701
local terms energy: -255.672232
where:
bonds (distance) C4'-P energy: -42.395
bonds (distance) P-C4' energy: -46.251
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -73.663
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: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -663.130140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.130140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.130140 (E_RNA)
where:
Base-Base interactions energy: -445.297
where: short stacking energy: -194.154
Base-Backbone interact. energy: -0.617
local terms energy: -217.215525
where:
bonds (distance) C4'-P energy: -38.625
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -58.569
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: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -533.438638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.438638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.438638 (E_RNA)
where:
Base-Base interactions energy: -336.360
where: short stacking energy: -158.629
Base-Backbone interact. energy: 0.113
local terms energy: -197.191323
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -37.003
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: 461
Temperature: 1.350000
Total energy: -231.500801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.500801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.500801 (E_RNA)
where:
Base-Base interactions energy: -82.574
where: short stacking energy: -63.673
Base-Backbone interact. energy: 2.298
local terms energy: -151.224753
where:
bonds (distance) C4'-P energy: -47.408
bonds (distance) P-C4' energy: -44.654
flat angles C4'-P-C4' energy: -41.576
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: 12.373
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: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -952.963006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.963006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.963006 (E_RNA)
where:
Base-Base interactions energy: -659.473
where: short stacking energy: -287.109
Base-Backbone interact. energy: -0.096
local terms energy: -293.393851
where:
bonds (distance) C4'-P energy: -52.191
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -81.241
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: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -939.072107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.072107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.072107 (E_RNA)
where:
Base-Base interactions energy: -649.576
where: short stacking energy: -280.663
Base-Backbone interact. energy: -0.204
local terms energy: -289.292277
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -52.619
flat angles C4'-P-C4' energy: -63.997
flat angles P-C4'-P energy: -45.442
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -916.100921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.100921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.100921 (E_RNA)
where:
Base-Base interactions energy: -645.045
where: short stacking energy: -275.972
Base-Backbone interact. energy: -0.110
local terms energy: -270.945187
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -48.303
flat angles C4'-P-C4' energy: -55.605
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -79.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -834.765307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.765307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.765307 (E_RNA)
where:
Base-Base interactions energy: -588.578
where: short stacking energy: -258.699
Base-Backbone interact. energy: -0.127
local terms energy: -246.060224
where:
bonds (distance) C4'-P energy: -40.536
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -40.946
tors. eta vs tors. theta energy: -69.029
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: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -900.588956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.588956 (E_RNA)
where:
Base-Base interactions energy: -625.058
where: short stacking energy: -271.748
Base-Backbone interact. energy: -0.602
local terms energy: -274.928752
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -47.576
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -86.298
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: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -804.348691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.348691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.348691 (E_RNA)
where:
Base-Base interactions energy: -573.889
where: short stacking energy: -245.301
Base-Backbone interact. energy: -0.296
local terms energy: -230.163243
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -65.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -813.408075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.408075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.408075 (E_RNA)
where:
Base-Base interactions energy: -548.957
where: short stacking energy: -245.796
Base-Backbone interact. energy: -1.363
local terms energy: -263.088283
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -59.603
flat angles C4'-P-C4' energy: -48.669
flat angles P-C4'-P energy: -38.002
tors. eta vs tors. theta energy: -72.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -656.403591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.403591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.403591 (E_RNA)
where:
Base-Base interactions energy: -440.882
where: short stacking energy: -181.733
Base-Backbone interact. energy: -0.661
local terms energy: -214.860196
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -52.353
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: 462
Temperature: 1.300000
Total energy: -566.643253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.643253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.643253 (E_RNA)
where:
Base-Base interactions energy: -372.363
where: short stacking energy: -147.857
Base-Backbone interact. energy: -2.653
local terms energy: -191.627585
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -34.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -220.974137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.974137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.974137 (E_RNA)
where:
Base-Base interactions energy: -80.313
where: short stacking energy: -76.016
Base-Backbone interact. energy: -2.745
local terms energy: -137.916049
where:
bonds (distance) C4'-P energy: -46.725
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: 6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -989.751035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.751035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.751035 (E_RNA)
where:
Base-Base interactions energy: -691.008
where: short stacking energy: -304.325
Base-Backbone interact. energy: -0.839
local terms energy: -297.903493
where:
bonds (distance) C4'-P energy: -50.415
bonds (distance) P-C4' energy: -53.172
flat angles C4'-P-C4' energy: -61.822
flat angles P-C4'-P energy: -45.309
tors. eta vs tors. theta energy: -87.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -924.377999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.377999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.377999 (E_RNA)
where:
Base-Base interactions energy: -643.441
where: short stacking energy: -285.561
Base-Backbone interact. energy: -0.734
local terms energy: -280.202691
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -50.978
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -40.101
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -912.332379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.332379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.332379 (E_RNA)
where:
Base-Base interactions energy: -638.696
where: short stacking energy: -267.917
Base-Backbone interact. energy: -2.194
local terms energy: -271.442059
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: -80.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -914.011840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.011840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.011840 (E_RNA)
where:
Base-Base interactions energy: -644.105
where: short stacking energy: -279.346
Base-Backbone interact. energy: -0.161
local terms energy: -269.746169
where:
bonds (distance) C4'-P energy: -41.850
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -59.948
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -81.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -825.648309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.648309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.648309 (E_RNA)
where:
Base-Base interactions energy: -561.460
where: short stacking energy: -245.032
Base-Backbone interact. energy: -0.053
local terms energy: -264.135139
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -51.756
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -74.682
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: 463
Temperature: 1.150000
Total energy: -819.504886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.504886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.504886 (E_RNA)
where:
Base-Base interactions energy: -566.961
where: short stacking energy: -253.807
Base-Backbone interact. energy: 1.896
local terms energy: -254.440022
where:
bonds (distance) C4'-P energy: -35.154
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -73.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -761.472898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.472898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.472898 (E_RNA)
where:
Base-Base interactions energy: -522.830
where: short stacking energy: -216.531
Base-Backbone interact. energy: -1.349
local terms energy: -237.293710
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -46.919
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -31.903
tors. eta vs tors. theta energy: -58.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -670.085456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.085456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.085456 (E_RNA)
where:
Base-Base interactions energy: -442.435
where: short stacking energy: -193.321
Base-Backbone interact. energy: -0.066
local terms energy: -227.584509
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -573.190818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.190818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.190818 (E_RNA)
where:
Base-Base interactions energy: -366.413
where: short stacking energy: -156.504
Base-Backbone interact. energy: 0.164
local terms energy: -206.942685
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -50.242
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -38.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -233.781741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.781741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.781741 (E_RNA)
where:
Base-Base interactions energy: -87.492
where: short stacking energy: -70.956
Base-Backbone interact. energy: -3.605
local terms energy: -142.684950
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: 2.848
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -965.308293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.308293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.308293 (E_RNA)
where:
Base-Base interactions energy: -670.821
where: short stacking energy: -289.206
Base-Backbone interact. energy: -0.579
local terms energy: -293.908269
where:
bonds (distance) C4'-P energy: -53.112
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -85.837
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -949.786225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.786225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.786225 (E_RNA)
where:
Base-Base interactions energy: -657.680
where: short stacking energy: -283.477
Base-Backbone interact. energy: -2.085
local terms energy: -290.021349
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -48.071
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: -85.709
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: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -938.043461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.043461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.043461 (E_RNA)
where:
Base-Base interactions energy: -649.066
where: short stacking energy: -277.398
Base-Backbone interact. energy: -0.279
local terms energy: -288.698357
where:
bonds (distance) C4'-P energy: -45.522
bonds (distance) P-C4' energy: -52.541
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -89.182
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: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -885.421727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.421727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.421727 (E_RNA)
where:
Base-Base interactions energy: -623.886
where: short stacking energy: -269.252
Base-Backbone interact. energy: -1.642
local terms energy: -259.894386
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -73.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -834.091072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.091072 (E_RNA)
where:
Base-Base interactions energy: -576.923
where: short stacking energy: -251.115
Base-Backbone interact. energy: -0.475
local terms energy: -256.693395
where:
bonds (distance) C4'-P energy: -44.247
bonds (distance) P-C4' energy: -54.639
flat angles C4'-P-C4' energy: -52.584
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -816.838032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.838032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.838032 (E_RNA)
where:
Base-Base interactions energy: -576.663
where: short stacking energy: -255.847
Base-Backbone interact. energy: -0.718
local terms energy: -239.456922
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -26.302
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: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -786.177436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.177436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.177436 (E_RNA)
where:
Base-Base interactions energy: -539.902
where: short stacking energy: -226.450
Base-Backbone interact. energy: 0.139
local terms energy: -246.413551
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -54.452
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -71.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -674.132382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.132382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.132382 (E_RNA)
where:
Base-Base interactions energy: -452.046
where: short stacking energy: -199.181
Base-Backbone interact. energy: -0.702
local terms energy: -221.383766
where:
bonds (distance) C4'-P energy: -38.783
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -46.715
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -615.741109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.741109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.741109 (E_RNA)
where:
Base-Base interactions energy: -416.026
where: short stacking energy: -186.360
Base-Backbone interact. energy: -0.322
local terms energy: -199.392715
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -24.071
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: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -235.145240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.145240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.145240 (E_RNA)
where:
Base-Base interactions energy: -84.123
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.127
local terms energy: -150.895534
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: 10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -980.356347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.356347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.356347 (E_RNA)
where:
Base-Base interactions energy: -698.536
where: short stacking energy: -304.574
Base-Backbone interact. energy: -0.577
local terms energy: -281.243297
where:
bonds (distance) C4'-P energy: -38.939
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -59.771
flat angles P-C4'-P energy: -46.955
tors. eta vs tors. theta energy: -84.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -933.762995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.762995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.762995 (E_RNA)
where:
Base-Base interactions energy: -641.162
where: short stacking energy: -280.328
Base-Backbone interact. energy: -1.843
local terms energy: -290.758454
where:
bonds (distance) C4'-P energy: -48.978
bonds (distance) P-C4' energy: -51.064
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -918.415511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.415511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.415511 (E_RNA)
where:
Base-Base interactions energy: -631.849
where: short stacking energy: -265.033
Base-Backbone interact. energy: -1.692
local terms energy: -284.874278
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -47.894
flat angles C4'-P-C4' energy: -58.691
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -82.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -902.068240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.068240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.068240 (E_RNA)
where:
Base-Base interactions energy: -631.312
where: short stacking energy: -261.275
Base-Backbone interact. energy: -0.372
local terms energy: -270.384815
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -58.601
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -73.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -842.435428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.435428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.435428 (E_RNA)
where:
Base-Base interactions energy: -569.355
where: short stacking energy: -247.580
Base-Backbone interact. energy: -1.301
local terms energy: -271.779307
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -50.029
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -68.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -794.477040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.477040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.477040 (E_RNA)
where:
Base-Base interactions energy: -540.318
where: short stacking energy: -227.700
Base-Backbone interact. energy: -0.542
local terms energy: -253.616729
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -56.014
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -780.748586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.748586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.748586 (E_RNA)
where:
Base-Base interactions energy: -537.921
where: short stacking energy: -224.511
Base-Backbone interact. energy: -0.698
local terms energy: -242.130255
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -47.321
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -63.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -653.967376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.967376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.967376 (E_RNA)
where:
Base-Base interactions energy: -428.595
where: short stacking energy: -192.234
Base-Backbone interact. energy: -0.367
local terms energy: -225.005842
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -43.773
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -37.972
tors. eta vs tors. theta energy: -48.459
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: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -642.826526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.826526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.826526 (E_RNA)
where:
Base-Base interactions energy: -419.442
where: short stacking energy: -186.790
Base-Backbone interact. energy: 0.862
local terms energy: -224.246300
where:
bonds (distance) C4'-P energy: -44.638
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -46.717
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -43.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -224.039587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.039587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.039587 (E_RNA)
where:
Base-Base interactions energy: -84.501
where: short stacking energy: -73.579
Base-Backbone interact. energy: 0.190
local terms energy: -139.728469
where:
bonds (distance) C4'-P energy: -50.235
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: 4.659
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -979.359741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.359741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.359741 (E_RNA)
where:
Base-Base interactions energy: -683.050
where: short stacking energy: -284.262
Base-Backbone interact. energy: -0.632
local terms energy: -295.677352
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -65.359
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -82.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -939.823387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.823387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.823387 (E_RNA)
where:
Base-Base interactions energy: -650.726
where: short stacking energy: -282.222
Base-Backbone interact. energy: 0.975
local terms energy: -290.072547
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -58.227
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -87.308
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: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -917.509681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.509681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.509681 (E_RNA)
where:
Base-Base interactions energy: -634.254
where: short stacking energy: -271.301
Base-Backbone interact. energy: -0.439
local terms energy: -282.817025
where:
bonds (distance) C4'-P energy: -53.284
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -49.555
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -79.783
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: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -905.183138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.183138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.183138 (E_RNA)
where:
Base-Base interactions energy: -644.941
where: short stacking energy: -279.383
Base-Backbone interact. energy: 0.555
local terms energy: -260.796920
where:
bonds (distance) C4'-P energy: -40.950
bonds (distance) P-C4' energy: -46.707
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -32.372
tors. eta vs tors. theta energy: -83.604
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: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -853.102576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.102576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.102576 (E_RNA)
where:
Base-Base interactions energy: -594.434
where: short stacking energy: -253.922
Base-Backbone interact. energy: -1.721
local terms energy: -256.948165
where:
bonds (distance) C4'-P energy: -49.043
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -75.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -811.854443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.854443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.854443 (E_RNA)
where:
Base-Base interactions energy: -557.671
where: short stacking energy: -234.472
Base-Backbone interact. energy: 1.615
local terms energy: -255.798370
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -50.477
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -66.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -772.113521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.113521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.113521 (E_RNA)
where:
Base-Base interactions energy: -538.146
where: short stacking energy: -230.933
Base-Backbone interact. energy: -0.841
local terms energy: -233.126016
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -53.471
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -68.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -676.156708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.156708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.156708 (E_RNA)
where:
Base-Base interactions energy: -466.877
where: short stacking energy: -211.562
Base-Backbone interact. energy: 0.026
local terms energy: -209.305295
where:
bonds (distance) C4'-P energy: -51.801
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -52.420
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -47.882
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: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -665.168177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.168177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.168177 (E_RNA)
where:
Base-Base interactions energy: -443.960
where: short stacking energy: -200.590
Base-Backbone interact. energy: 0.578
local terms energy: -221.785879
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -52.944
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -223.766713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.766713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.766713 (E_RNA)
where:
Base-Base interactions energy: -93.242
where: short stacking energy: -88.517
Base-Backbone interact. energy: -0.964
local terms energy: -129.560758
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: 6.007
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: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -962.649344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.649344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.649344 (E_RNA)
where:
Base-Base interactions energy: -673.429
where: short stacking energy: -285.095
Base-Backbone interact. energy: -1.673
local terms energy: -287.547677
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -58.337
flat angles P-C4'-P energy: -40.145
tors. eta vs tors. theta energy: -83.576
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: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -947.837786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.837786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.837786 (E_RNA)
where:
Base-Base interactions energy: -658.035
where: short stacking energy: -286.021
Base-Backbone interact. energy: -0.897
local terms energy: -288.906316
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -85.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -908.824814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.824814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.824814 (E_RNA)
where:
Base-Base interactions energy: -633.498
where: short stacking energy: -268.368
Base-Backbone interact. energy: 1.464
local terms energy: -276.790534
where:
bonds (distance) C4'-P energy: -48.056
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -78.990
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: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -918.280943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.280943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.280943 (E_RNA)
where:
Base-Base interactions energy: -651.246
where: short stacking energy: -274.921
Base-Backbone interact. energy: -0.370
local terms energy: -266.664117
where:
bonds (distance) C4'-P energy: -41.880
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: -81.157
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: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -847.843347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.843347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.843347 (E_RNA)
where:
Base-Base interactions energy: -569.849
where: short stacking energy: -252.046
Base-Backbone interact. energy: -0.924
local terms energy: -277.070157
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -56.985
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -77.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -778.375990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.375990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.375990 (E_RNA)
where:
Base-Base interactions energy: -546.275
where: short stacking energy: -225.127
Base-Backbone interact. energy: -0.849
local terms energy: -231.251984
where:
bonds (distance) C4'-P energy: -43.614
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -51.061
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -56.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -794.528541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.528541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.528541 (E_RNA)
where:
Base-Base interactions energy: -551.326
where: short stacking energy: -241.091
Base-Backbone interact. energy: 3.471
local terms energy: -246.673539
where:
bonds (distance) C4'-P energy: -41.373
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -51.636
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -63.892
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: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -665.986002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.986002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.986002 (E_RNA)
where:
Base-Base interactions energy: -442.768
where: short stacking energy: -197.673
Base-Backbone interact. energy: -1.290
local terms energy: -221.928819
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -53.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -645.379053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.379053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.379053 (E_RNA)
where:
Base-Base interactions energy: -435.200
where: short stacking energy: -190.664
Base-Backbone interact. energy: -1.309
local terms energy: -208.870190
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -45.952
flat angles P-C4'-P energy: -32.703
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: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -231.659615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.659615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.659615 (E_RNA)
where:
Base-Base interactions energy: -84.115
where: short stacking energy: -64.922
Base-Backbone interact. energy: -1.460
local terms energy: -146.084612
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -965.799643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.799643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.799643 (E_RNA)
where:
Base-Base interactions energy: -679.403
where: short stacking energy: -298.600
Base-Backbone interact. energy: -0.154
local terms energy: -286.243393
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -54.381
flat angles C4'-P-C4' energy: -58.851
flat angles P-C4'-P energy: -39.651
tors. eta vs tors. theta energy: -85.940
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -955.013390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.013390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.013390 (E_RNA)
where:
Base-Base interactions energy: -671.410
where: short stacking energy: -287.726
Base-Backbone interact. energy: 1.539
local terms energy: -285.142143
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -54.082
flat angles P-C4'-P energy: -42.535
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: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -897.096439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.096439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.096439 (E_RNA)
where:
Base-Base interactions energy: -624.630
where: short stacking energy: -268.108
Base-Backbone interact. energy: -1.379
local terms energy: -271.087374
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -75.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -926.735915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.735915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.735915 (E_RNA)
where:
Base-Base interactions energy: -642.871
where: short stacking energy: -277.086
Base-Backbone interact. energy: -0.951
local terms energy: -282.914216
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -48.577
flat angles C4'-P-C4' energy: -60.036
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -85.548
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -843.176900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.176900 (E_RNA)
where:
Base-Base interactions energy: -577.135
where: short stacking energy: -252.869
Base-Backbone interact. energy: -0.007
local terms energy: -266.034894
where:
bonds (distance) C4'-P energy: -50.997
bonds (distance) P-C4' energy: -49.729
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -34.217
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: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -792.836412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.836412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.836412 (E_RNA)
where:
Base-Base interactions energy: -532.963
where: short stacking energy: -221.787
Base-Backbone interact. energy: -0.144
local terms energy: -259.729406
where:
bonds (distance) C4'-P energy: -52.255
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -60.249
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -66.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -796.169704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.169704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.169704 (E_RNA)
where:
Base-Base interactions energy: -534.718
where: short stacking energy: -226.715
Base-Backbone interact. energy: -0.483
local terms energy: -260.968432
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -69.222
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: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -703.433304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.433304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.433304 (E_RNA)
where:
Base-Base interactions energy: -477.507
where: short stacking energy: -204.450
Base-Backbone interact. energy: -0.615
local terms energy: -225.310805
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -53.923
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -49.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -613.452959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.452959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.452959 (E_RNA)
where:
Base-Base interactions energy: -407.280
where: short stacking energy: -170.223
Base-Backbone interact. energy: 0.066
local terms energy: -206.238965
where:
bonds (distance) C4'-P energy: -40.967
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -42.405
flat angles P-C4'-P energy: -31.591
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: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -226.503991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.503991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.503991 (E_RNA)
where:
Base-Base interactions energy: -85.806
where: short stacking energy: -52.779
Base-Backbone interact. energy: 0.765
local terms energy: -141.463515
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -40.947
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: 5.979
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: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -973.152530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.152530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.152530 (E_RNA)
where:
Base-Base interactions energy: -664.339
where: short stacking energy: -291.048
Base-Backbone interact. energy: -0.220
local terms energy: -308.593884
where:
bonds (distance) C4'-P energy: -57.884
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -59.920
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -89.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -951.171240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.171240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.171240 (E_RNA)
where:
Base-Base interactions energy: -666.259
where: short stacking energy: -281.671
Base-Backbone interact. energy: 0.020
local terms energy: -284.931960
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -83.180
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: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -905.261374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.261374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.261374 (E_RNA)
where:
Base-Base interactions energy: -628.008
where: short stacking energy: -261.928
Base-Backbone interact. energy: 0.214
local terms energy: -277.466836
where:
bonds (distance) C4'-P energy: -46.604
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -78.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -912.574356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.574356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.574356 (E_RNA)
where:
Base-Base interactions energy: -635.973
where: short stacking energy: -276.517
Base-Backbone interact. energy: -1.176
local terms energy: -275.426025
where:
bonds (distance) C4'-P energy: -44.497
bonds (distance) P-C4' energy: -50.681
flat angles C4'-P-C4' energy: -56.141
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -83.430
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: 469
Temperature: 1.100000
Total energy: -844.783940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.783940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.783940 (E_RNA)
where:
Base-Base interactions energy: -583.509
where: short stacking energy: -247.915
Base-Backbone interact. energy: -0.841
local terms energy: -260.434440
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -45.812
flat angles C4'-P-C4' energy: -60.397
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -70.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -807.801693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.801693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.801693 (E_RNA)
where:
Base-Base interactions energy: -524.858
where: short stacking energy: -224.315
Base-Backbone interact. energy: -0.604
local terms energy: -282.340188
where:
bonds (distance) C4'-P energy: -55.517
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -44.458
tors. eta vs tors. theta energy: -72.866
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: 469
Temperature: 1.200000
Total energy: -788.909485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.909485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.909485 (E_RNA)
where:
Base-Base interactions energy: -545.851
where: short stacking energy: -233.859
Base-Backbone interact. energy: 2.277
local terms energy: -245.334972
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -44.801
flat angles C4'-P-C4' energy: -53.822
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -68.629
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: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -693.661694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.661694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.661694 (E_RNA)
where:
Base-Base interactions energy: -452.450
where: short stacking energy: -204.801
Base-Backbone interact. energy: -1.139
local terms energy: -240.072804
where:
bonds (distance) C4'-P energy: -48.223
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -60.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -609.486616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.486616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.486616 (E_RNA)
where:
Base-Base interactions energy: -406.649
where: short stacking energy: -163.153
Base-Backbone interact. energy: -0.426
local terms energy: -202.411870
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -38.685
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: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -234.121795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.121795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.121795 (E_RNA)
where:
Base-Base interactions energy: -82.156
where: short stacking energy: -62.214
Base-Backbone interact. energy: -1.180
local terms energy: -150.786313
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -43.642
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -1.007
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -957.871987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.871987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.871987 (E_RNA)
where:
Base-Base interactions energy: -651.486
where: short stacking energy: -275.469
Base-Backbone interact. energy: -1.542
local terms energy: -304.843869
where:
bonds (distance) C4'-P energy: -56.601
bonds (distance) P-C4' energy: -49.315
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -86.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -928.379316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.379316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.379316 (E_RNA)
where:
Base-Base interactions energy: -642.406
where: short stacking energy: -277.370
Base-Backbone interact. energy: -0.849
local terms energy: -285.124165
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -74.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -933.181661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.181661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.181661 (E_RNA)
where:
Base-Base interactions energy: -657.432
where: short stacking energy: -275.486
Base-Backbone interact. energy: -0.474
local terms energy: -275.275830
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -52.667
flat angles C4'-P-C4' energy: -57.742
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -896.710929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.710929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.710929 (E_RNA)
where:
Base-Base interactions energy: -631.610
where: short stacking energy: -266.790
Base-Backbone interact. energy: -0.597
local terms energy: -264.503801
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -48.312
flat angles C4'-P-C4' energy: -55.933
flat angles P-C4'-P energy: -43.497
tors. eta vs tors. theta energy: -70.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -828.349119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.349119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.349119 (E_RNA)
where:
Base-Base interactions energy: -557.053
where: short stacking energy: -248.081
Base-Backbone interact. energy: -0.994
local terms energy: -270.302050
where:
bonds (distance) C4'-P energy: -52.113
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -70.116
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: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -811.247732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.247732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.247732 (E_RNA)
where:
Base-Base interactions energy: -564.222
where: short stacking energy: -242.663
Base-Backbone interact. energy: 0.193
local terms energy: -247.218408
where:
bonds (distance) C4'-P energy: -44.130
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -49.812
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -68.181
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: 470
Temperature: 1.200000
Total energy: -809.706434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.706434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.706434 (E_RNA)
where:
Base-Base interactions energy: -571.337
where: short stacking energy: -245.086
Base-Backbone interact. energy: 1.739
local terms energy: -240.108696
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -63.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -696.094632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.094632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.094632 (E_RNA)
where:
Base-Base interactions energy: -475.792
where: short stacking energy: -215.919
Base-Backbone interact. energy: -0.120
local terms energy: -220.182668
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -45.959
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -58.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -612.269705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.269705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.269705 (E_RNA)
where:
Base-Base interactions energy: -402.666
where: short stacking energy: -177.068
Base-Backbone interact. energy: 1.076
local terms energy: -210.679478
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -41.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -222.738062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738062 (E_RNA)
where:
Base-Base interactions energy: -91.312
where: short stacking energy: -75.564
Base-Backbone interact. energy: 1.390
local terms energy: -132.816062
where:
bonds (distance) C4'-P energy: -37.332
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -19.670
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: 471
Temperature: 0.900000
Total energy: -976.930409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.930409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.930409 (E_RNA)
where:
Base-Base interactions energy: -694.370
where: short stacking energy: -290.787
Base-Backbone interact. energy: -0.887
local terms energy: -281.674144
where:
bonds (distance) C4'-P energy: -57.640
bonds (distance) P-C4' energy: -39.910
flat angles C4'-P-C4' energy: -58.296
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -87.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -933.886292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.886292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.886292 (E_RNA)
where:
Base-Base interactions energy: -643.339
where: short stacking energy: -266.666
Base-Backbone interact. energy: -0.779
local terms energy: -289.768440
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -58.920
flat angles C4'-P-C4' energy: -61.068
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -76.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -904.072327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.072327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.072327 (E_RNA)
where:
Base-Base interactions energy: -651.360
where: short stacking energy: -272.783
Base-Backbone interact. energy: 1.380
local terms energy: -254.092781
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -44.475
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -77.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -899.909883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.909883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.909883 (E_RNA)
where:
Base-Base interactions energy: -637.812
where: short stacking energy: -272.273
Base-Backbone interact. energy: -0.918
local terms energy: -261.180407
where:
bonds (distance) C4'-P energy: -44.706
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -83.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -841.819611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.819611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.819611 (E_RNA)
where:
Base-Base interactions energy: -578.726
where: short stacking energy: -252.489
Base-Backbone interact. energy: -0.461
local terms energy: -262.632739
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -66.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -807.293895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.293895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.293895 (E_RNA)
where:
Base-Base interactions energy: -563.054
where: short stacking energy: -266.230
Base-Backbone interact. energy: -1.594
local terms energy: -242.645751
where:
bonds (distance) C4'-P energy: -38.356
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -57.431
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -74.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -797.153618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.153618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.153618 (E_RNA)
where:
Base-Base interactions energy: -551.990
where: short stacking energy: -246.026
Base-Backbone interact. energy: -0.501
local terms energy: -244.661932
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -46.317
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -63.865
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -703.704745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.704745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.704745 (E_RNA)
where:
Base-Base interactions energy: -492.491
where: short stacking energy: -217.664
Base-Backbone interact. energy: 0.096
local terms energy: -211.309643
where:
bonds (distance) C4'-P energy: -38.591
bonds (distance) P-C4' energy: -38.458
flat angles C4'-P-C4' energy: -47.515
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: -54.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -630.921728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.921728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.921728 (E_RNA)
where:
Base-Base interactions energy: -407.752
where: short stacking energy: -185.127
Base-Backbone interact. energy: -1.300
local terms energy: -221.869740
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -44.464
flat angles C4'-P-C4' energy: -54.519
flat angles P-C4'-P energy: -37.450
tors. eta vs tors. theta energy: -44.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -220.776456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.776456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.776456 (E_RNA)
where:
Base-Base interactions energy: -83.082
where: short stacking energy: -57.561
Base-Backbone interact. energy: -2.251
local terms energy: -135.444149
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -43.891
flat angles C4'-P-C4' energy: -40.817
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: 1.934
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: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -956.643447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.643447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.643447 (E_RNA)
where:
Base-Base interactions energy: -674.167
where: short stacking energy: -304.732
Base-Backbone interact. energy: 0.890
local terms energy: -283.366346
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -54.283
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -82.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -938.294594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.294594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.294594 (E_RNA)
where:
Base-Base interactions energy: -644.890
where: short stacking energy: -266.241
Base-Backbone interact. energy: -0.850
local terms energy: -292.554356
where:
bonds (distance) C4'-P energy: -60.752
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -76.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -918.027916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.027916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.027916 (E_RNA)
where:
Base-Base interactions energy: -620.800
where: short stacking energy: -270.977
Base-Backbone interact. energy: -0.578
local terms energy: -296.649867
where:
bonds (distance) C4'-P energy: -50.193
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -59.911
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -81.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -891.078947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.078947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.078947 (E_RNA)
where:
Base-Base interactions energy: -637.789
where: short stacking energy: -268.571
Base-Backbone interact. energy: -0.940
local terms energy: -252.349983
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -44.133
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -35.401
tors. eta vs tors. theta energy: -81.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -839.113071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.113071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.113071 (E_RNA)
where:
Base-Base interactions energy: -567.393
where: short stacking energy: -234.019
Base-Backbone interact. energy: -0.635
local terms energy: -271.084659
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -67.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -813.839919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.839919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.839919 (E_RNA)
where:
Base-Base interactions energy: -560.558
where: short stacking energy: -230.085
Base-Backbone interact. energy: -0.882
local terms energy: -252.399794
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -54.280
flat angles C4'-P-C4' energy: -47.987
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -71.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -798.945754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.945754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.945754 (E_RNA)
where:
Base-Base interactions energy: -572.518
where: short stacking energy: -228.884
Base-Backbone interact. energy: -1.367
local terms energy: -225.060621
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -46.723
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -59.656
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: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -699.272060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.272060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.272060 (E_RNA)
where:
Base-Base interactions energy: -475.547
where: short stacking energy: -210.156
Base-Backbone interact. energy: 2.708
local terms energy: -226.433035
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -50.266
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -55.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -595.663502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.663502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.663502 (E_RNA)
where:
Base-Base interactions energy: -383.376
where: short stacking energy: -175.230
Base-Backbone interact. energy: 0.710
local terms energy: -212.997674
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -56.282
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -31.920
tors. eta vs tors. theta energy: -40.442
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: 472
Temperature: 1.350000
Total energy: -216.382961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.382961 (E_RNA)
where:
Base-Base interactions energy: -81.038
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.881
local terms energy: -134.463636
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -42.537
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: 1.196
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: 473
Temperature: 0.900000
Total energy: -967.945247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.945247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.945247 (E_RNA)
where:
Base-Base interactions energy: -677.188
where: short stacking energy: -281.752
Base-Backbone interact. energy: -1.180
local terms energy: -289.577393
where:
bonds (distance) C4'-P energy: -56.085
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -79.476
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: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -948.290590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.290590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.290590 (E_RNA)
where:
Base-Base interactions energy: -651.392
where: short stacking energy: -286.055
Base-Backbone interact. energy: -0.692
local terms energy: -296.206911
where:
bonds (distance) C4'-P energy: -51.986
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -58.520
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -87.761
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: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -927.327062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.327062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.327062 (E_RNA)
where:
Base-Base interactions energy: -644.401
where: short stacking energy: -271.744
Base-Backbone interact. energy: -0.367
local terms energy: -282.559397
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -58.790
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -81.353
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: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -891.458341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.458341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.458341 (E_RNA)
where:
Base-Base interactions energy: -610.506
where: short stacking energy: -264.614
Base-Backbone interact. energy: -0.207
local terms energy: -280.745483
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -48.761
flat angles C4'-P-C4' energy: -57.123
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -84.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -848.235230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.235230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.235230 (E_RNA)
where:
Base-Base interactions energy: -572.749
where: short stacking energy: -254.728
Base-Backbone interact. energy: -1.258
local terms energy: -274.228229
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -59.010
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -78.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -795.976120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.976120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.976120 (E_RNA)
where:
Base-Base interactions energy: -560.648
where: short stacking energy: -242.100
Base-Backbone interact. energy: -0.375
local terms energy: -234.953194
where:
bonds (distance) C4'-P energy: -48.253
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -45.866
flat angles P-C4'-P energy: -30.050
tors. eta vs tors. theta energy: -59.598
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -791.756810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.756810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.756810 (E_RNA)
where:
Base-Base interactions energy: -552.814
where: short stacking energy: -238.696
Base-Backbone interact. energy: -1.550
local terms energy: -237.392889
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -30.378
tors. eta vs tors. theta energy: -71.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -681.870240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.870240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.870240 (E_RNA)
where:
Base-Base interactions energy: -455.887
where: short stacking energy: -199.746
Base-Backbone interact. energy: 0.128
local terms energy: -226.111056
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -48.498
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -46.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -592.345014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.345014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.345014 (E_RNA)
where:
Base-Base interactions energy: -381.230
where: short stacking energy: -177.907
Base-Backbone interact. energy: -0.435
local terms energy: -210.679210
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -50.308
flat angles C4'-P-C4' energy: -45.274
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -44.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -220.205598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.205598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.205598 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -84.287
Base-Backbone interact. energy: -0.982
local terms energy: -127.022870
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: 7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -955.211046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.211046 (E_RNA)
where:
Base-Base interactions energy: -669.925
where: short stacking energy: -277.862
Base-Backbone interact. energy: -0.655
local terms energy: -284.630836
where:
bonds (distance) C4'-P energy: -49.437
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -79.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -946.268379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.268379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.268379 (E_RNA)
where:
Base-Base interactions energy: -670.540
where: short stacking energy: -282.870
Base-Backbone interact. energy: 0.534
local terms energy: -276.262664
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -40.399
flat angles C4'-P-C4' energy: -62.091
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: -82.623
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -920.851478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.851478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.851478 (E_RNA)
where:
Base-Base interactions energy: -649.392
where: short stacking energy: -276.554
Base-Backbone interact. energy: -1.268
local terms energy: -270.192232
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -50.138
flat angles C4'-P-C4' energy: -52.292
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -85.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -876.014913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.014913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.014913 (E_RNA)
where:
Base-Base interactions energy: -620.390
where: short stacking energy: -252.036
Base-Backbone interact. energy: 1.600
local terms energy: -257.225198
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -59.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -846.863647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.863647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.863647 (E_RNA)
where:
Base-Base interactions energy: -595.012
where: short stacking energy: -258.955
Base-Backbone interact. energy: 2.368
local terms energy: -254.220100
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -52.235
flat angles P-C4'-P energy: -32.789
tors. eta vs tors. theta energy: -75.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -791.961447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.961447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.961447 (E_RNA)
where:
Base-Base interactions energy: -542.774
where: short stacking energy: -238.459
Base-Backbone interact. energy: -0.352
local terms energy: -248.835823
where:
bonds (distance) C4'-P energy: -50.397
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -792.861422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.861422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.861422 (E_RNA)
where:
Base-Base interactions energy: -534.000
where: short stacking energy: -223.409
Base-Backbone interact. energy: -0.429
local terms energy: -258.432890
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -63.588
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: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -692.116955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.116955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.116955 (E_RNA)
where:
Base-Base interactions energy: -463.225
where: short stacking energy: -193.635
Base-Backbone interact. energy: -0.386
local terms energy: -228.506422
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -51.555
flat angles P-C4'-P energy: -37.139
tors. eta vs tors. theta energy: -48.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -523.140077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.140077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.140077 (E_RNA)
where:
Base-Base interactions energy: -327.122
where: short stacking energy: -156.383
Base-Backbone interact. energy: -1.270
local terms energy: -194.748275
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -51.147
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -227.776667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.776667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.776667 (E_RNA)
where:
Base-Base interactions energy: -83.674
where: short stacking energy: -76.229
Base-Backbone interact. energy: -0.452
local terms energy: -143.650843
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -51.739
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: 4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -973.178339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.178339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.178339 (E_RNA)
where:
Base-Base interactions energy: -672.733
where: short stacking energy: -295.711
Base-Backbone interact. energy: -1.191
local terms energy: -299.254183
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -89.940
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: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -960.690041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.690041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.690041 (E_RNA)
where:
Base-Base interactions energy: -667.143
where: short stacking energy: -286.555
Base-Backbone interact. energy: -0.223
local terms energy: -293.324153
where:
bonds (distance) C4'-P energy: -49.796
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -91.235
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: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -916.184417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.184417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.184417 (E_RNA)
where:
Base-Base interactions energy: -640.891
where: short stacking energy: -278.952
Base-Backbone interact. energy: 0.725
local terms energy: -276.018374
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -54.103
flat angles C4'-P-C4' energy: -53.519
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -84.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -887.121148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.121148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.121148 (E_RNA)
where:
Base-Base interactions energy: -612.956
where: short stacking energy: -267.289
Base-Backbone interact. energy: -0.552
local terms energy: -273.613024
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -55.562
flat angles C4'-P-C4' energy: -54.764
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -76.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -835.997905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.997905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.997905 (E_RNA)
where:
Base-Base interactions energy: -572.465
where: short stacking energy: -254.315
Base-Backbone interact. energy: -0.428
local terms energy: -263.105223
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -74.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -813.949333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.949333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.949333 (E_RNA)
where:
Base-Base interactions energy: -562.794
where: short stacking energy: -233.249
Base-Backbone interact. energy: -2.657
local terms energy: -248.498979
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -50.419
flat angles P-C4'-P energy: -38.681
tors. eta vs tors. theta energy: -67.681
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: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -737.261762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.261762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.261762 (E_RNA)
where:
Base-Base interactions energy: -511.850
where: short stacking energy: -219.621
Base-Backbone interact. energy: 0.811
local terms energy: -226.221990
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -664.541067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.541067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.541067 (E_RNA)
where:
Base-Base interactions energy: -452.296
where: short stacking energy: -210.100
Base-Backbone interact. energy: -0.521
local terms energy: -211.724509
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -57.549
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: 475
Temperature: 1.300000
Total energy: -527.433203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.433203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.433203 (E_RNA)
where:
Base-Base interactions energy: -339.020
where: short stacking energy: -146.722
Base-Backbone interact. energy: -0.538
local terms energy: -187.874732
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -23.289
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: 475
Temperature: 1.350000
Total energy: -217.762757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.762757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.762757 (E_RNA)
where:
Base-Base interactions energy: -70.825
where: short stacking energy: -64.498
Base-Backbone interact. energy: 0.629
local terms energy: -147.567103
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: 7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -958.223905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.223905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.223905 (E_RNA)
where:
Base-Base interactions energy: -652.972
where: short stacking energy: -292.345
Base-Backbone interact. energy: -1.506
local terms energy: -303.745386
where:
bonds (distance) C4'-P energy: -57.468
bonds (distance) P-C4' energy: -49.789
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -88.953
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: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -964.292940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.292940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.292940 (E_RNA)
where:
Base-Base interactions energy: -655.541
where: short stacking energy: -289.325
Base-Backbone interact. energy: -1.090
local terms energy: -307.661952
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -55.597
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -91.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -932.947925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.947925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.947925 (E_RNA)
where:
Base-Base interactions energy: -653.556
where: short stacking energy: -286.241
Base-Backbone interact. energy: -1.774
local terms energy: -277.617580
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -58.779
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -83.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -893.993985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.993985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.993985 (E_RNA)
where:
Base-Base interactions energy: -625.732
where: short stacking energy: -258.925
Base-Backbone interact. energy: -0.915
local terms energy: -267.347217
where:
bonds (distance) C4'-P energy: -48.303
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -41.155
tors. eta vs tors. theta energy: -79.121
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: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -810.690028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.690028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.690028 (E_RNA)
where:
Base-Base interactions energy: -564.697
where: short stacking energy: -234.702
Base-Backbone interact. energy: -2.084
local terms energy: -243.908137
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -44.422
flat angles C4'-P-C4' energy: -52.521
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -69.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -790.867117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.867117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.867117 (E_RNA)
where:
Base-Base interactions energy: -539.555
where: short stacking energy: -235.648
Base-Backbone interact. energy: -1.195
local terms energy: -250.116717
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -71.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -743.386718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.386718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.386718 (E_RNA)
where:
Base-Base interactions energy: -498.802
where: short stacking energy: -212.568
Base-Backbone interact. energy: -0.899
local terms energy: -243.686481
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -56.352
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: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -730.188776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.188776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.188776 (E_RNA)
where:
Base-Base interactions energy: -493.631
where: short stacking energy: -226.757
Base-Backbone interact. energy: -0.904
local terms energy: -235.653699
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -40.746
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -66.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -503.042647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.042647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.042647 (E_RNA)
where:
Base-Base interactions energy: -300.710
where: short stacking energy: -125.915
Base-Backbone interact. energy: 0.267
local terms energy: -202.600314
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -48.047
flat angles P-C4'-P energy: -35.884
tors. eta vs tors. theta energy: -28.707
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: 476
Temperature: 1.350000
Total energy: -227.275143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.275143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.275143 (E_RNA)
where:
Base-Base interactions energy: -80.390
where: short stacking energy: -60.943
Base-Backbone interact. energy: 0.640
local terms energy: -147.525649
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -56.988
flat angles C4'-P-C4' energy: -43.539
flat angles P-C4'-P energy: -26.798
tors. eta vs tors. theta energy: 19.146
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: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -967.254655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.254655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.254655 (E_RNA)
where:
Base-Base interactions energy: -679.118
where: short stacking energy: -291.298
Base-Backbone interact. energy: -0.369
local terms energy: -287.768014
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -87.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -955.742914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.742914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.742914 (E_RNA)
where:
Base-Base interactions energy: -658.128
where: short stacking energy: -291.248
Base-Backbone interact. energy: -1.194
local terms energy: -296.421054
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -63.642
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -86.140
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: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -907.278864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.278864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.278864 (E_RNA)
where:
Base-Base interactions energy: -626.675
where: short stacking energy: -257.123
Base-Backbone interact. energy: -0.806
local terms energy: -279.797934
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -52.244
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -83.900
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: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -895.309537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.309537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.309537 (E_RNA)
where:
Base-Base interactions energy: -641.559
where: short stacking energy: -257.101
Base-Backbone interact. energy: -0.470
local terms energy: -253.280824
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -49.532
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: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -814.372089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.372089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.372089 (E_RNA)
where:
Base-Base interactions energy: -562.183
where: short stacking energy: -240.915
Base-Backbone interact. energy: -0.260
local terms energy: -251.929352
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -58.916
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -60.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -788.222884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.222884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.222884 (E_RNA)
where:
Base-Base interactions energy: -539.983
where: short stacking energy: -246.781
Base-Backbone interact. energy: 1.724
local terms energy: -249.964089
where:
bonds (distance) C4'-P energy: -48.586
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -69.694
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: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -758.451388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.451388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.451388 (E_RNA)
where:
Base-Base interactions energy: -525.903
where: short stacking energy: -242.917
Base-Backbone interact. energy: 1.375
local terms energy: -233.922955
where:
bonds (distance) C4'-P energy: -36.764
bonds (distance) P-C4' energy: -40.981
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -32.874
tors. eta vs tors. theta energy: -73.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -681.929101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.929101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.929101 (E_RNA)
where:
Base-Base interactions energy: -453.325
where: short stacking energy: -188.161
Base-Backbone interact. energy: -0.778
local terms energy: -227.826517
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -49.520
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: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -532.104127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.104127 (E_RNA)
where:
Base-Base interactions energy: -339.105
where: short stacking energy: -140.549
Base-Backbone interact. energy: 0.741
local terms energy: -193.739617
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -29.236
tors. eta vs tors. theta energy: -27.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -225.304069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.304069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304069 (E_RNA)
where:
Base-Base interactions energy: -79.415
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.033
local terms energy: -145.856178
where:
bonds (distance) C4'-P energy: -46.124
bonds (distance) P-C4' energy: -47.370
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: 7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -965.402807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.402807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.402807 (E_RNA)
where:
Base-Base interactions energy: -667.124
where: short stacking energy: -291.274
Base-Backbone interact. energy: -1.156
local terms energy: -297.122891
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -91.910
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: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -949.713772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.713772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.713772 (E_RNA)
where:
Base-Base interactions energy: -672.868
where: short stacking energy: -272.883
Base-Backbone interact. energy: -0.394
local terms energy: -276.451863
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -41.031
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -37.253
tors. eta vs tors. theta energy: -80.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -927.749787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.749787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.749787 (E_RNA)
where:
Base-Base interactions energy: -641.156
where: short stacking energy: -268.576
Base-Backbone interact. energy: 1.236
local terms energy: -287.830512
where:
bonds (distance) C4'-P energy: -56.013
bonds (distance) P-C4' energy: -43.621
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -40.147
tors. eta vs tors. theta energy: -87.137
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: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -897.568188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.568188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.568188 (E_RNA)
where:
Base-Base interactions energy: -626.694
where: short stacking energy: -261.272
Base-Backbone interact. energy: -1.200
local terms energy: -269.674187
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -62.208
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -71.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -793.440803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.440803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.440803 (E_RNA)
where:
Base-Base interactions energy: -529.922
where: short stacking energy: -252.226
Base-Backbone interact. energy: -0.877
local terms energy: -262.641210
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -51.441
flat angles P-C4'-P energy: -35.082
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -812.769791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.769791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.769791 (E_RNA)
where:
Base-Base interactions energy: -555.780
where: short stacking energy: -245.572
Base-Backbone interact. energy: -0.969
local terms energy: -256.020727
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -66.280
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: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -703.728061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.728061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.728061 (E_RNA)
where:
Base-Base interactions energy: -472.042
where: short stacking energy: -210.038
Base-Backbone interact. energy: -0.393
local terms energy: -231.293339
where:
bonds (distance) C4'-P energy: -40.614
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -52.814
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -55.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -712.257716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.257716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.257716 (E_RNA)
where:
Base-Base interactions energy: -493.908
where: short stacking energy: -210.114
Base-Backbone interact. energy: -0.495
local terms energy: -217.855569
where:
bonds (distance) C4'-P energy: -40.475
bonds (distance) P-C4' energy: -44.871
flat angles C4'-P-C4' energy: -42.892
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -56.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -511.348183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.348183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.348183 (E_RNA)
where:
Base-Base interactions energy: -316.484
where: short stacking energy: -150.710
Base-Backbone interact. energy: -1.063
local terms energy: -193.801260
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -37.004
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -37.937
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: 478
Temperature: 1.350000
Total energy: -239.106584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.106584 (E_RNA)
where:
Base-Base interactions energy: -116.593
where: short stacking energy: -79.825
Base-Backbone interact. energy: -0.235
local terms energy: -122.278349
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -966.497513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.497513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.497513 (E_RNA)
where:
Base-Base interactions energy: -673.844
where: short stacking energy: -295.631
Base-Backbone interact. energy: -0.868
local terms energy: -291.785892
where:
bonds (distance) C4'-P energy: -49.615
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -62.832
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -85.364
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -935.895034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.895034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.895034 (E_RNA)
where:
Base-Base interactions energy: -660.172
where: short stacking energy: -273.735
Base-Backbone interact. energy: -0.931
local terms energy: -274.791621
where:
bonds (distance) C4'-P energy: -51.947
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -77.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -917.646534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.646534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.646534 (E_RNA)
where:
Base-Base interactions energy: -640.946
where: short stacking energy: -289.024
Base-Backbone interact. energy: -0.473
local terms energy: -276.227262
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -61.181
flat angles P-C4'-P energy: -44.724
tors. eta vs tors. theta energy: -86.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -906.691778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.691778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.691778 (E_RNA)
where:
Base-Base interactions energy: -626.801
where: short stacking energy: -263.482
Base-Backbone interact. energy: -1.777
local terms energy: -278.114098
where:
bonds (distance) C4'-P energy: -47.601
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -52.814
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -796.786657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.786657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.786657 (E_RNA)
where:
Base-Base interactions energy: -545.360
where: short stacking energy: -242.686
Base-Backbone interact. energy: -0.676
local terms energy: -250.750266
where:
bonds (distance) C4'-P energy: -48.487
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -69.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -789.808360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.808360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.808360 (E_RNA)
where:
Base-Base interactions energy: -556.428
where: short stacking energy: -229.410
Base-Backbone interact. energy: -1.387
local terms energy: -231.993778
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -43.160
flat angles C4'-P-C4' energy: -58.122
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -63.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -757.721151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.721151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.721151 (E_RNA)
where:
Base-Base interactions energy: -523.295
where: short stacking energy: -236.177
Base-Backbone interact. energy: -0.852
local terms energy: -233.573383
where:
bonds (distance) C4'-P energy: -42.472
bonds (distance) P-C4' energy: -38.086
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -59.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -714.316743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.316743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.316743 (E_RNA)
where:
Base-Base interactions energy: -496.410
where: short stacking energy: -212.626
Base-Backbone interact. energy: -0.778
local terms energy: -217.128757
where:
bonds (distance) C4'-P energy: -34.988
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -44.888
flat angles P-C4'-P energy: -33.033
tors. eta vs tors. theta energy: -56.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -499.962631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.962631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.962631 (E_RNA)
where:
Base-Base interactions energy: -315.307
where: short stacking energy: -146.081
Base-Backbone interact. energy: -0.600
local terms energy: -184.055742
where:
bonds (distance) C4'-P energy: -35.876
bonds (distance) P-C4' energy: -40.989
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -32.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -216.510233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510233 (E_RNA)
where:
Base-Base interactions energy: -81.109
where: short stacking energy: -65.232
Base-Backbone interact. energy: -1.983
local terms energy: -133.418598
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -975.880250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.880250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.880250 (E_RNA)
where:
Base-Base interactions energy: -686.299
where: short stacking energy: -296.374
Base-Backbone interact. energy: -0.788
local terms energy: -288.793616
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -34.164
tors. eta vs tors. theta energy: -86.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -925.696554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.696554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.696554 (E_RNA)
where:
Base-Base interactions energy: -635.246
where: short stacking energy: -273.092
Base-Backbone interact. energy: -0.641
local terms energy: -289.809740
where:
bonds (distance) C4'-P energy: -57.582
bonds (distance) P-C4' energy: -46.024
flat angles C4'-P-C4' energy: -60.860
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -906.377174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.377174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.377174 (E_RNA)
where:
Base-Base interactions energy: -620.294
where: short stacking energy: -278.894
Base-Backbone interact. energy: -0.095
local terms energy: -285.987868
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -53.804
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -84.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -877.081811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.081811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.081811 (E_RNA)
where:
Base-Base interactions energy: -602.818
where: short stacking energy: -255.074
Base-Backbone interact. energy: -0.574
local terms energy: -273.689776
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: -76.616
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: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -829.610092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.610092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.610092 (E_RNA)
where:
Base-Base interactions energy: -567.807
where: short stacking energy: -244.914
Base-Backbone interact. energy: 0.662
local terms energy: -262.465231
where:
bonds (distance) C4'-P energy: -50.090
bonds (distance) P-C4' energy: -52.390
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -770.499171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.499171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.499171 (E_RNA)
where:
Base-Base interactions energy: -520.843
where: short stacking energy: -228.589
Base-Backbone interact. energy: -0.520
local terms energy: -249.136045
where:
bonds (distance) C4'-P energy: -47.516
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -54.181
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -70.662
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -793.142928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.142928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.142928 (E_RNA)
where:
Base-Base interactions energy: -555.519
where: short stacking energy: -227.784
Base-Backbone interact. energy: -0.476
local terms energy: -237.147901
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: -54.347
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -711.760338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.760338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.760338 (E_RNA)
where:
Base-Base interactions energy: -495.426
where: short stacking energy: -201.522
Base-Backbone interact. energy: -0.322
local terms energy: -216.012878
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -43.770
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -56.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -505.318953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.318953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.318953 (E_RNA)
where:
Base-Base interactions energy: -297.924
where: short stacking energy: -141.564
Base-Backbone interact. energy: -0.416
local terms energy: -206.979052
where:
bonds (distance) C4'-P energy: -44.403
bonds (distance) P-C4' energy: -43.664
flat angles C4'-P-C4' energy: -47.218
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -37.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -233.188761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.188761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.188761 (E_RNA)
where:
Base-Base interactions energy: -82.123
where: short stacking energy: -60.102
Base-Backbone interact. energy: 2.164
local terms energy: -153.230377
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: 5.313
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: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -972.531078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.531078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.531078 (E_RNA)
where:
Base-Base interactions energy: -671.267
where: short stacking energy: -304.455
Base-Backbone interact. energy: 0.276
local terms energy: -301.540245
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -61.737
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -91.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -946.839936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.839936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.839936 (E_RNA)
where:
Base-Base interactions energy: -664.237
where: short stacking energy: -287.394
Base-Backbone interact. energy: -0.861
local terms energy: -281.742119
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -79.392
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -919.745513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.745513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.745513 (E_RNA)
where:
Base-Base interactions energy: -638.039
where: short stacking energy: -278.913
Base-Backbone interact. energy: 2.163
local terms energy: -283.869655
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -54.283
flat angles C4'-P-C4' energy: -54.544
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -88.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -836.374695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.374695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.374695 (E_RNA)
where:
Base-Base interactions energy: -573.691
where: short stacking energy: -249.194
Base-Backbone interact. energy: -1.828
local terms energy: -260.855617
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -71.181
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: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -881.872441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.872441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.872441 (E_RNA)
where:
Base-Base interactions energy: -631.238
where: short stacking energy: -267.945
Base-Backbone interact. energy: -0.400
local terms energy: -250.234611
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -52.030
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -77.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -806.847311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.847311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.847311 (E_RNA)
where:
Base-Base interactions energy: -555.507
where: short stacking energy: -251.690
Base-Backbone interact. energy: -0.508
local terms energy: -250.832525
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -75.825
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: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -757.275362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.275362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.275362 (E_RNA)
where:
Base-Base interactions energy: -522.790
where: short stacking energy: -219.703
Base-Backbone interact. energy: -0.828
local terms energy: -233.657598
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -48.268
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -64.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -701.435860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.435860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.435860 (E_RNA)
where:
Base-Base interactions energy: -480.319
where: short stacking energy: -188.819
Base-Backbone interact. energy: 0.266
local terms energy: -221.382157
where:
bonds (distance) C4'-P energy: -53.232
bonds (distance) P-C4' energy: -45.532
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -28.733
tors. eta vs tors. theta energy: -47.890
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: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -516.096828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.096828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.096828 (E_RNA)
where:
Base-Base interactions energy: -325.805
where: short stacking energy: -147.064
Base-Backbone interact. energy: -1.442
local terms energy: -188.850526
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -29.795
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: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -227.491166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.491166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.491166 (E_RNA)
where:
Base-Base interactions energy: -79.513
where: short stacking energy: -66.011
Base-Backbone interact. energy: 0.754
local terms energy: -148.732419
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -39.012
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -993.290307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.290307 (E_RNA)
where:
Base-Base interactions energy: -692.036
where: short stacking energy: -296.983
Base-Backbone interact. energy: -1.626
local terms energy: -299.629125
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -64.388
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -86.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -960.142225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.142225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.142225 (E_RNA)
where:
Base-Base interactions energy: -681.159
where: short stacking energy: -291.772
Base-Backbone interact. energy: -0.485
local terms energy: -278.498346
where:
bonds (distance) C4'-P energy: -37.196
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -88.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -919.778677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.778677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.778677 (E_RNA)
where:
Base-Base interactions energy: -634.363
where: short stacking energy: -282.115
Base-Backbone interact. energy: -0.509
local terms energy: -284.907217
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -54.659
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -79.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -841.215216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.215216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.215216 (E_RNA)
where:
Base-Base interactions energy: -586.537
where: short stacking energy: -249.459
Base-Backbone interact. energy: -0.948
local terms energy: -253.730697
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -47.977
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -71.453
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -874.224081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.224081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.224081 (E_RNA)
where:
Base-Base interactions energy: -614.870
where: short stacking energy: -260.001
Base-Backbone interact. energy: 1.132
local terms energy: -260.486179
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -40.009
flat angles C4'-P-C4' energy: -54.535
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -78.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -777.470393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.470393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.470393 (E_RNA)
where:
Base-Base interactions energy: -521.880
where: short stacking energy: -236.868
Base-Backbone interact. energy: -0.961
local terms energy: -254.629798
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -65.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -762.264341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.264341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.264341 (E_RNA)
where:
Base-Base interactions energy: -521.574
where: short stacking energy: -221.957
Base-Backbone interact. energy: -0.649
local terms energy: -240.040901
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -64.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -593.220869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.220869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.220869 (E_RNA)
where:
Base-Base interactions energy: -393.624
where: short stacking energy: -164.767
Base-Backbone interact. energy: -1.135
local terms energy: -198.461229
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -44.035
flat angles C4'-P-C4' energy: -48.162
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -35.728
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: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -526.995984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.995984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.995984 (E_RNA)
where:
Base-Base interactions energy: -333.569
where: short stacking energy: -152.281
Base-Backbone interact. energy: -0.697
local terms energy: -192.730194
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -48.375
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -217.205559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.205559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.205559 (E_RNA)
where:
Base-Base interactions energy: -76.979
where: short stacking energy: -63.398
Base-Backbone interact. energy: -1.382
local terms energy: -138.844009
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -50.548
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: 10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -965.476419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.476419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.476419 (E_RNA)
where:
Base-Base interactions energy: -667.771
where: short stacking energy: -277.729
Base-Backbone interact. energy: -0.781
local terms energy: -296.924477
where:
bonds (distance) C4'-P energy: -53.517
bonds (distance) P-C4' energy: -54.505
flat angles C4'-P-C4' energy: -59.896
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -85.386
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: 483
Temperature: 0.950000
Total energy: -940.634221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.634221 (E_RNA)
where:
Base-Base interactions energy: -646.160
where: short stacking energy: -288.164
Base-Backbone interact. energy: -0.199
local terms energy: -294.274977
where:
bonds (distance) C4'-P energy: -53.257
bonds (distance) P-C4' energy: -50.565
flat angles C4'-P-C4' energy: -56.528
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -87.749
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: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -918.963973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.963973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.963973 (E_RNA)
where:
Base-Base interactions energy: -644.844
where: short stacking energy: -272.604
Base-Backbone interact. energy: -0.736
local terms energy: -273.384068
where:
bonds (distance) C4'-P energy: -46.677
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -57.882
flat angles P-C4'-P energy: -38.889
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: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -916.546465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.546465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.546465 (E_RNA)
where:
Base-Base interactions energy: -638.956
where: short stacking energy: -264.028
Base-Backbone interact. energy: -1.428
local terms energy: -276.162305
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -71.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -812.344150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.344150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.344150 (E_RNA)
where:
Base-Base interactions energy: -550.560
where: short stacking energy: -230.295
Base-Backbone interact. energy: -1.173
local terms energy: -260.611110
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -70.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -771.455708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.455708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.455708 (E_RNA)
where:
Base-Base interactions energy: -535.711
where: short stacking energy: -218.838
Base-Backbone interact. energy: 0.992
local terms energy: -236.737028
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -59.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -739.164975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.164975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.164975 (E_RNA)
where:
Base-Base interactions energy: -495.266
where: short stacking energy: -219.493
Base-Backbone interact. energy: 1.787
local terms energy: -245.685855
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -52.436
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -65.773
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: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -633.192682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.192682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.192682 (E_RNA)
where:
Base-Base interactions energy: -432.261
where: short stacking energy: -177.863
Base-Backbone interact. energy: -1.407
local terms energy: -199.524724
where:
bonds (distance) C4'-P energy: -44.198
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -37.099
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: 483
Temperature: 1.300000
Total energy: -530.048610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.048610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.048610 (E_RNA)
where:
Base-Base interactions energy: -336.359
where: short stacking energy: -170.151
Base-Backbone interact. energy: -0.526
local terms energy: -193.163961
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -34.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -220.418227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418227 (E_RNA)
where:
Base-Base interactions energy: -76.785
where: short stacking energy: -66.969
Base-Backbone interact. energy: -1.636
local terms energy: -141.997933
where:
bonds (distance) C4'-P energy: -42.460
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: 6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -952.603026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.603026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.603026 (E_RNA)
where:
Base-Base interactions energy: -666.084
where: short stacking energy: -287.450
Base-Backbone interact. energy: 0.019
local terms energy: -286.538392
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -85.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -941.307554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.307554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.307554 (E_RNA)
where:
Base-Base interactions energy: -653.975
where: short stacking energy: -277.713
Base-Backbone interact. energy: -1.383
local terms energy: -285.949356
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -52.941
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -82.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -915.149621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.149621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.149621 (E_RNA)
where:
Base-Base interactions energy: -639.412
where: short stacking energy: -272.304
Base-Backbone interact. energy: 0.282
local terms energy: -276.020047
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -54.703
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -79.863
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: 4, replica: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -856.383527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.383527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.383527 (E_RNA)
where:
Base-Base interactions energy: -583.330
where: short stacking energy: -248.492
Base-Backbone interact. energy: -0.431
local terms energy: -272.622351
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -55.582
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -75.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -814.358608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.358608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.358608 (E_RNA)
where:
Base-Base interactions energy: -549.125
where: short stacking energy: -238.113
Base-Backbone interact. energy: 3.000
local terms energy: -268.233253
where:
bonds (distance) C4'-P energy: -47.906
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -75.698
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: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -809.918906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.918906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.918906 (E_RNA)
where:
Base-Base interactions energy: -554.715
where: short stacking energy: -244.672
Base-Backbone interact. energy: -0.727
local terms energy: -254.476684
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -65.631
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: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -744.717716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.717716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.717716 (E_RNA)
where:
Base-Base interactions energy: -521.277
where: short stacking energy: -222.306
Base-Backbone interact. energy: 0.108
local terms energy: -223.548745
where:
bonds (distance) C4'-P energy: -44.650
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -48.634
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -59.687
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -619.608233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.608233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.608233 (E_RNA)
where:
Base-Base interactions energy: -421.182
where: short stacking energy: -171.978
Base-Backbone interact. energy: -0.477
local terms energy: -197.949477
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -37.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -534.347578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.347578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.347578 (E_RNA)
where:
Base-Base interactions energy: -351.630
where: short stacking energy: -157.661
Base-Backbone interact. energy: 2.128
local terms energy: -184.845510
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -39.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -223.023657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023657 (E_RNA)
where:
Base-Base interactions energy: -87.195
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.283
local terms energy: -135.545792
where:
bonds (distance) C4'-P energy: -38.649
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: 2.498
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: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -949.670152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.670152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.670152 (E_RNA)
where:
Base-Base interactions energy: -655.343
where: short stacking energy: -289.212
Base-Backbone interact. energy: -1.074
local terms energy: -293.253424
where:
bonds (distance) C4'-P energy: -58.649
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -84.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -940.486011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.486011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.486011 (E_RNA)
where:
Base-Base interactions energy: -646.685
where: short stacking energy: -282.685
Base-Backbone interact. energy: 0.152
local terms energy: -293.952991
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -52.283
flat angles C4'-P-C4' energy: -60.996
flat angles P-C4'-P energy: -40.931
tors. eta vs tors. theta energy: -84.624
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: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -932.956108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.956108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.956108 (E_RNA)
where:
Base-Base interactions energy: -656.412
where: short stacking energy: -282.500
Base-Backbone interact. energy: -1.768
local terms energy: -274.776119
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -52.660
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -86.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -888.596373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.596373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.596373 (E_RNA)
where:
Base-Base interactions energy: -620.586
where: short stacking energy: -264.234
Base-Backbone interact. energy: -1.464
local terms energy: -266.546914
where:
bonds (distance) C4'-P energy: -45.522
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -79.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -828.153898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.153898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.153898 (E_RNA)
where:
Base-Base interactions energy: -563.021
where: short stacking energy: -245.622
Base-Backbone interact. energy: 0.613
local terms energy: -265.745734
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -49.419
flat angles C4'-P-C4' energy: -54.931
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -67.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -771.673115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.673115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.673115 (E_RNA)
where:
Base-Base interactions energy: -525.979
where: short stacking energy: -240.339
Base-Backbone interact. energy: -0.327
local terms energy: -245.366902
where:
bonds (distance) C4'-P energy: -53.131
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -47.481
flat angles P-C4'-P energy: -33.518
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: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -794.490222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.490222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.490222 (E_RNA)
where:
Base-Base interactions energy: -543.948
where: short stacking energy: -234.212
Base-Backbone interact. energy: -1.107
local terms energy: -249.435817
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -66.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -630.290995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.290995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.290995 (E_RNA)
where:
Base-Base interactions energy: -431.829
where: short stacking energy: -175.011
Base-Backbone interact. energy: -1.885
local terms energy: -196.577600
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -53.017
flat angles C4'-P-C4' energy: -47.848
flat angles P-C4'-P energy: -28.664
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -564.377654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.377654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.377654 (E_RNA)
where:
Base-Base interactions energy: -350.582
where: short stacking energy: -187.130
Base-Backbone interact. energy: 3.887
local terms energy: -217.682623
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -44.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -248.221118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.221118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.221118 (E_RNA)
where:
Base-Base interactions energy: -100.338
where: short stacking energy: -66.787
Base-Backbone interact. energy: -1.015
local terms energy: -146.868962
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -970.702746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.702746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.702746 (E_RNA)
where:
Base-Base interactions energy: -667.157
where: short stacking energy: -288.882
Base-Backbone interact. energy: -1.793
local terms energy: -301.753402
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -58.721
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: -85.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -925.491654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.491654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.491654 (E_RNA)
where:
Base-Base interactions energy: -645.972
where: short stacking energy: -269.210
Base-Backbone interact. energy: -1.225
local terms energy: -278.293924
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -79.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -953.502904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.502904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.502904 (E_RNA)
where:
Base-Base interactions energy: -658.407
where: short stacking energy: -300.966
Base-Backbone interact. energy: -1.612
local terms energy: -293.483924
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -59.924
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -88.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -897.579471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.579471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.579471 (E_RNA)
where:
Base-Base interactions energy: -628.243
where: short stacking energy: -265.674
Base-Backbone interact. energy: -0.511
local terms energy: -268.825662
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -81.079
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: 486
Temperature: 1.100000
Total energy: -812.758752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.758752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.758752 (E_RNA)
where:
Base-Base interactions energy: -560.976
where: short stacking energy: -249.948
Base-Backbone interact. energy: -0.443
local terms energy: -251.340238
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -48.905
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -73.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -765.006252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.006252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.006252 (E_RNA)
where:
Base-Base interactions energy: -513.951
where: short stacking energy: -226.620
Base-Backbone interact. energy: -0.847
local terms energy: -250.207931
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -69.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -784.357238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.357238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.357238 (E_RNA)
where:
Base-Base interactions energy: -536.228
where: short stacking energy: -218.189
Base-Backbone interact. energy: 5.209
local terms energy: -253.338702
where:
bonds (distance) C4'-P energy: -39.787
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: -68.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -648.625709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.625709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.625709 (E_RNA)
where:
Base-Base interactions energy: -429.355
where: short stacking energy: -173.867
Base-Backbone interact. energy: 0.308
local terms energy: -219.578946
where:
bonds (distance) C4'-P energy: -56.808
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -41.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -526.584340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.584340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.584340 (E_RNA)
where:
Base-Base interactions energy: -324.097
where: short stacking energy: -134.122
Base-Backbone interact. energy: 0.011
local terms energy: -202.498283
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -49.272
flat angles C4'-P-C4' energy: -41.418
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -31.245
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: 486
Temperature: 1.350000
Total energy: -223.857672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.857672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.857672 (E_RNA)
where:
Base-Base interactions energy: -72.955
where: short stacking energy: -66.716
Base-Backbone interact. energy: -1.102
local terms energy: -149.800791
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -43.091
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: 6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -949.319306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.319306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.319306 (E_RNA)
where:
Base-Base interactions energy: -664.677
where: short stacking energy: -282.426
Base-Backbone interact. energy: -0.538
local terms energy: -284.103811
where:
bonds (distance) C4'-P energy: -40.004
bonds (distance) P-C4' energy: -58.058
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -40.169
tors. eta vs tors. theta energy: -86.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -960.018546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.018546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.018546 (E_RNA)
where:
Base-Base interactions energy: -670.833
where: short stacking energy: -283.575
Base-Backbone interact. energy: -2.140
local terms energy: -287.046501
where:
bonds (distance) C4'-P energy: -51.506
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -56.936
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -79.786
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: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -918.073774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.073774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.073774 (E_RNA)
where:
Base-Base interactions energy: -633.691
where: short stacking energy: -270.880
Base-Backbone interact. energy: -1.944
local terms energy: -282.439091
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -40.081
tors. eta vs tors. theta energy: -86.466
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -887.827616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.827616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.827616 (E_RNA)
where:
Base-Base interactions energy: -610.721
where: short stacking energy: -267.589
Base-Backbone interact. energy: -0.564
local terms energy: -276.543062
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -49.852
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -81.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -796.821638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.821638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.821638 (E_RNA)
where:
Base-Base interactions energy: -539.350
where: short stacking energy: -226.331
Base-Backbone interact. energy: 0.031
local terms energy: -257.502748
where:
bonds (distance) C4'-P energy: -46.767
bonds (distance) P-C4' energy: -50.766
flat angles C4'-P-C4' energy: -59.074
flat angles P-C4'-P energy: -37.056
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: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -810.929109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.929109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.929109 (E_RNA)
where:
Base-Base interactions energy: -576.634
where: short stacking energy: -222.022
Base-Backbone interact. energy: 0.525
local terms energy: -234.819819
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -53.141
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -59.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -759.602671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.602671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.602671 (E_RNA)
where:
Base-Base interactions energy: -507.465
where: short stacking energy: -229.049
Base-Backbone interact. energy: -0.457
local terms energy: -251.680535
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -55.132
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -62.239
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: 487
Temperature: 1.250000
Total energy: -617.873692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.873692 (E_RNA)
where:
Base-Base interactions energy: -406.853
where: short stacking energy: -170.612
Base-Backbone interact. energy: 1.009
local terms energy: -212.029716
where:
bonds (distance) C4'-P energy: -56.225
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -43.954
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -38.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -527.325197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.325197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.325197 (E_RNA)
where:
Base-Base interactions energy: -314.393
where: short stacking energy: -155.866
Base-Backbone interact. energy: 1.674
local terms energy: -214.606285
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -36.462
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: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -233.942315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.942315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.942315 (E_RNA)
where:
Base-Base interactions energy: -78.824
where: short stacking energy: -72.291
Base-Backbone interact. energy: 0.368
local terms energy: -155.486010
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: 5.245
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: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -965.351929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.351929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.351929 (E_RNA)
where:
Base-Base interactions energy: -662.877
where: short stacking energy: -278.924
Base-Backbone interact. energy: -1.164
local terms energy: -301.311418
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -43.470
tors. eta vs tors. theta energy: -89.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -954.354209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.354209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.354209 (E_RNA)
where:
Base-Base interactions energy: -660.380
where: short stacking energy: -301.118
Base-Backbone interact. energy: -1.814
local terms energy: -292.160297
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -48.078
flat angles C4'-P-C4' energy: -61.848
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -86.126
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: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -916.240821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.240821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.240821 (E_RNA)
where:
Base-Base interactions energy: -634.360
where: short stacking energy: -272.097
Base-Backbone interact. energy: -0.311
local terms energy: -281.570239
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -79.633
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: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -930.534764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.534764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.534764 (E_RNA)
where:
Base-Base interactions energy: -636.254
where: short stacking energy: -275.804
Base-Backbone interact. energy: -0.862
local terms energy: -293.419586
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -82.522
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -831.600117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.600117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.600117 (E_RNA)
where:
Base-Base interactions energy: -571.367
where: short stacking energy: -230.691
Base-Backbone interact. energy: -1.842
local terms energy: -258.390993
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -45.607
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -36.392
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: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -781.501608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.501608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.501608 (E_RNA)
where:
Base-Base interactions energy: -536.620
where: short stacking energy: -233.178
Base-Backbone interact. energy: -0.216
local terms energy: -244.665583
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -47.614
flat angles C4'-P-C4' energy: -53.953
flat angles P-C4'-P energy: -40.866
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: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -739.895795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.895795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.895795 (E_RNA)
where:
Base-Base interactions energy: -494.658
where: short stacking energy: -221.919
Base-Backbone interact. energy: -1.214
local terms energy: -244.024484
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -50.405
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -60.521
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: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -702.891490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.891490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.891490 (E_RNA)
where:
Base-Base interactions energy: -479.877
where: short stacking energy: -205.928
Base-Backbone interact. energy: -0.467
local terms energy: -222.547655
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -56.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -556.058551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.058551 (E_RNA)
where:
Base-Base interactions energy: -346.762
where: short stacking energy: -171.816
Base-Backbone interact. energy: 1.089
local terms energy: -210.385680
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -42.238
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -40.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -224.779298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.779298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.779298 (E_RNA)
where:
Base-Base interactions energy: -81.197
where: short stacking energy: -63.446
Base-Backbone interact. energy: 1.523
local terms energy: -145.105584
where:
bonds (distance) C4'-P energy: -37.632
bonds (distance) P-C4' energy: -46.588
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: 9.629
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: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -968.686476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.686476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.686476 (E_RNA)
where:
Base-Base interactions energy: -656.265
where: short stacking energy: -279.154
Base-Backbone interact. energy: 0.535
local terms energy: -312.956675
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -57.372
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -47.748
tors. eta vs tors. theta energy: -88.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -941.135118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.135118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.135118 (E_RNA)
where:
Base-Base interactions energy: -651.143
where: short stacking energy: -296.810
Base-Backbone interact. energy: -0.170
local terms energy: -289.822449
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -47.941
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -89.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -921.531943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.531943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.531943 (E_RNA)
where:
Base-Base interactions energy: -643.357
where: short stacking energy: -279.481
Base-Backbone interact. energy: -1.364
local terms energy: -276.810392
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -63.412
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -79.657
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: 489
Temperature: 1.050000
Total energy: -913.998976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.998976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.998976 (E_RNA)
where:
Base-Base interactions energy: -628.188
where: short stacking energy: -262.266
Base-Backbone interact. energy: -0.172
local terms energy: -285.638730
where:
bonds (distance) C4'-P energy: -49.358
bonds (distance) P-C4' energy: -47.579
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -82.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -830.223048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.223048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.223048 (E_RNA)
where:
Base-Base interactions energy: -574.318
where: short stacking energy: -250.805
Base-Backbone interact. energy: 1.068
local terms energy: -256.973498
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -57.758
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -70.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -765.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.580466 (E_RNA)
where:
Base-Base interactions energy: -510.622
where: short stacking energy: -233.514
Base-Backbone interact. energy: -0.275
local terms energy: -254.683841
where:
bonds (distance) C4'-P energy: -39.602
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -42.842
tors. eta vs tors. theta energy: -67.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -741.512764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.512764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.512764 (E_RNA)
where:
Base-Base interactions energy: -507.490
where: short stacking energy: -195.739
Base-Backbone interact. energy: 0.072
local terms energy: -234.095095
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -52.962
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -52.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -678.230759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.230759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.230759 (E_RNA)
where:
Base-Base interactions energy: -468.919
where: short stacking energy: -189.346
Base-Backbone interact. energy: 1.041
local terms energy: -210.352284
where:
bonds (distance) C4'-P energy: -41.508
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -40.250
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -45.465
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: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -529.231954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.231954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.231954 (E_RNA)
where:
Base-Base interactions energy: -346.681
where: short stacking energy: -168.348
Base-Backbone interact. energy: -0.916
local terms energy: -181.635048
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -45.722
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -39.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -232.600885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.600885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.600885 (E_RNA)
where:
Base-Base interactions energy: -85.093
where: short stacking energy: -73.995
Base-Backbone interact. energy: 2.902
local terms energy: -150.409586
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -967.821972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.821972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.821972 (E_RNA)
where:
Base-Base interactions energy: -659.538
where: short stacking energy: -277.925
Base-Backbone interact. energy: -1.131
local terms energy: -307.153684
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -54.881
flat angles C4'-P-C4' energy: -64.994
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -89.578
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: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -933.805396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.805396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.805396 (E_RNA)
where:
Base-Base interactions energy: -652.134
where: short stacking energy: -279.808
Base-Backbone interact. energy: -1.182
local terms energy: -280.489382
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -35.166
tors. eta vs tors. theta energy: -80.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -914.260629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.260629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.260629 (E_RNA)
where:
Base-Base interactions energy: -633.753
where: short stacking energy: -272.531
Base-Backbone interact. energy: -1.864
local terms energy: -278.643602
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -45.266
tors. eta vs tors. theta energy: -76.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -928.832056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.832056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.832056 (E_RNA)
where:
Base-Base interactions energy: -650.213
where: short stacking energy: -295.566
Base-Backbone interact. energy: -0.945
local terms energy: -277.674547
where:
bonds (distance) C4'-P energy: -37.276
bonds (distance) P-C4' energy: -46.519
flat angles C4'-P-C4' energy: -60.380
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -85.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -786.222710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.222710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.222710 (E_RNA)
where:
Base-Base interactions energy: -535.725
where: short stacking energy: -229.954
Base-Backbone interact. energy: -1.078
local terms energy: -249.419881
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -36.968
tors. eta vs tors. theta energy: -65.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -798.493563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.493563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.493563 (E_RNA)
where:
Base-Base interactions energy: -552.138
where: short stacking energy: -238.384
Base-Backbone interact. energy: -0.357
local terms energy: -245.998846
where:
bonds (distance) C4'-P energy: -51.162
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -45.087
flat angles P-C4'-P energy: -30.433
tors. eta vs tors. theta energy: -70.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -737.396215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.396215 (E_RNA)
where:
Base-Base interactions energy: -502.686
where: short stacking energy: -203.299
Base-Backbone interact. energy: -0.026
local terms energy: -234.683761
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -54.281
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -52.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -640.495990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.495990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.495990 (E_RNA)
where:
Base-Base interactions energy: -422.238
where: short stacking energy: -185.226
Base-Backbone interact. energy: -0.307
local terms energy: -217.950804
where:
bonds (distance) C4'-P energy: -39.516
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -42.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -511.066729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.066729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.066729 (E_RNA)
where:
Base-Base interactions energy: -304.018
where: short stacking energy: -139.101
Base-Backbone interact. energy: 0.953
local terms energy: -208.001595
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -239.126474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.126474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.126474 (E_RNA)
where:
Base-Base interactions energy: -91.910
where: short stacking energy: -61.035
Base-Backbone interact. energy: -1.027
local terms energy: -146.189398
where:
bonds (distance) C4'-P energy: -39.100
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -26.819
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: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -978.743012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.743012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.743012 (E_RNA)
where:
Base-Base interactions energy: -681.978
where: short stacking energy: -284.052
Base-Backbone interact. energy: 0.626
local terms energy: -297.391480
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -65.583
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -85.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -945.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.797162 (E_RNA)
where:
Base-Base interactions energy: -662.979
where: short stacking energy: -293.965
Base-Backbone interact. energy: 1.283
local terms energy: -284.101145
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -56.202
flat angles C4'-P-C4' energy: -55.383
flat angles P-C4'-P energy: -34.659
tors. eta vs tors. theta energy: -89.139
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: 491
Temperature: 1.000000
Total energy: -923.982666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.982666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.982666 (E_RNA)
where:
Base-Base interactions energy: -656.978
where: short stacking energy: -266.456
Base-Backbone interact. energy: -1.475
local terms energy: -265.529429
where:
bonds (distance) C4'-P energy: -48.437
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -36.224
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: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -922.764193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.764193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.764193 (E_RNA)
where:
Base-Base interactions energy: -644.126
where: short stacking energy: -269.996
Base-Backbone interact. energy: -1.263
local terms energy: -277.374782
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -93.016
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: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -783.388498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.388498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.388498 (E_RNA)
where:
Base-Base interactions energy: -540.455
where: short stacking energy: -247.009
Base-Backbone interact. energy: -0.310
local terms energy: -242.624055
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -56.641
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -70.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -808.764636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.764636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.764636 (E_RNA)
where:
Base-Base interactions energy: -556.944
where: short stacking energy: -243.319
Base-Backbone interact. energy: -0.666
local terms energy: -251.154427
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -42.810
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: -65.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -743.187174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.187174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.187174 (E_RNA)
where:
Base-Base interactions energy: -529.878
where: short stacking energy: -195.650
Base-Backbone interact. energy: 0.095
local terms energy: -213.404136
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -58.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -577.184350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.184350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.184350 (E_RNA)
where:
Base-Base interactions energy: -385.474
where: short stacking energy: -173.680
Base-Backbone interact. energy: 2.998
local terms energy: -194.708427
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -464.046654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.046654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.046654 (E_RNA)
where:
Base-Base interactions energy: -283.778
where: short stacking energy: -122.148
Base-Backbone interact. energy: -0.787
local terms energy: -179.481579
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -39.575
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -235.468436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468436 (E_RNA)
where:
Base-Base interactions energy: -80.932
where: short stacking energy: -78.918
Base-Backbone interact. energy: -1.385
local terms energy: -153.151904
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -3.716
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: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -965.325458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.325458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.325458 (E_RNA)
where:
Base-Base interactions energy: -657.611
where: short stacking energy: -298.033
Base-Backbone interact. energy: -0.081
local terms energy: -307.632856
where:
bonds (distance) C4'-P energy: -55.551
bonds (distance) P-C4' energy: -56.771
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -86.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -952.347690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.347690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.347690 (E_RNA)
where:
Base-Base interactions energy: -653.871
where: short stacking energy: -287.355
Base-Backbone interact. energy: -0.497
local terms energy: -297.979622
where:
bonds (distance) C4'-P energy: -48.163
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -56.656
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -94.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -920.218454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.218454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.218454 (E_RNA)
where:
Base-Base interactions energy: -639.494
where: short stacking energy: -266.891
Base-Backbone interact. energy: 0.555
local terms energy: -281.279380
where:
bonds (distance) C4'-P energy: -42.077
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -80.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -905.636305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.636305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.636305 (E_RNA)
where:
Base-Base interactions energy: -628.643
where: short stacking energy: -253.064
Base-Backbone interact. energy: -1.316
local terms energy: -275.677496
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -79.493
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -783.051953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.051953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.051953 (E_RNA)
where:
Base-Base interactions energy: -533.094
where: short stacking energy: -245.707
Base-Backbone interact. energy: -0.982
local terms energy: -248.976075
where:
bonds (distance) C4'-P energy: -43.247
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -58.768
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -71.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -811.270666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.270666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.270666 (E_RNA)
where:
Base-Base interactions energy: -573.211
where: short stacking energy: -233.346
Base-Backbone interact. energy: -1.157
local terms energy: -236.903340
where:
bonds (distance) C4'-P energy: -38.686
bonds (distance) P-C4' energy: -45.027
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -69.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -756.052105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.052105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.052105 (E_RNA)
where:
Base-Base interactions energy: -515.492
where: short stacking energy: -218.775
Base-Backbone interact. energy: -0.702
local terms energy: -239.858110
where:
bonds (distance) C4'-P energy: -43.125
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -41.903
tors. eta vs tors. theta energy: -62.950
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: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -593.694090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.694090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.694090 (E_RNA)
where:
Base-Base interactions energy: -416.320
where: short stacking energy: -169.813
Base-Backbone interact. energy: -2.595
local terms energy: -174.778521
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -36.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -483.939594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.939594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.939594 (E_RNA)
where:
Base-Base interactions energy: -270.825
where: short stacking energy: -126.250
Base-Backbone interact. energy: 2.076
local terms energy: -215.190412
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -43.682
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -28.110
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: 492
Temperature: 1.350000
Total energy: -236.519191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.519191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.519191 (E_RNA)
where:
Base-Base interactions energy: -87.315
where: short stacking energy: -60.118
Base-Backbone interact. energy: 1.111
local terms energy: -150.315645
where:
bonds (distance) C4'-P energy: -45.442
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -44.939
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: 9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -961.931246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.931246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.931246 (E_RNA)
where:
Base-Base interactions energy: -668.221
where: short stacking energy: -301.677
Base-Backbone interact. energy: -1.132
local terms energy: -292.577985
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -89.028
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -938.001109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.001109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.001109 (E_RNA)
where:
Base-Base interactions energy: -661.458
where: short stacking energy: -271.922
Base-Backbone interact. energy: -0.687
local terms energy: -275.856506
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -75.828
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: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -932.787798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.787798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.787798 (E_RNA)
where:
Base-Base interactions energy: -647.000
where: short stacking energy: -282.468
Base-Backbone interact. energy: -0.888
local terms energy: -284.899301
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -55.493
flat angles C4'-P-C4' energy: -59.324
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -83.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -910.730209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.730209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.730209 (E_RNA)
where:
Base-Base interactions energy: -638.348
where: short stacking energy: -257.334
Base-Backbone interact. energy: -0.807
local terms energy: -271.575797
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -57.665
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -73.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -807.182020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.182020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.182020 (E_RNA)
where:
Base-Base interactions energy: -565.425
where: short stacking energy: -255.812
Base-Backbone interact. energy: -0.264
local terms energy: -241.492687
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -30.667
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: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -807.645775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.645775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.645775 (E_RNA)
where:
Base-Base interactions energy: -554.362
where: short stacking energy: -243.622
Base-Backbone interact. energy: -0.155
local terms energy: -253.128142
where:
bonds (distance) C4'-P energy: -51.812
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -61.051
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -73.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -747.574143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.574143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.574143 (E_RNA)
where:
Base-Base interactions energy: -522.498
where: short stacking energy: -232.372
Base-Backbone interact. energy: -0.688
local terms energy: -224.388349
where:
bonds (distance) C4'-P energy: -36.263
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -61.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -627.585107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.585107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.585107 (E_RNA)
where:
Base-Base interactions energy: -429.245
where: short stacking energy: -197.251
Base-Backbone interact. energy: 1.864
local terms energy: -200.204004
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -23.454
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: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -511.213144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.213144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.213144 (E_RNA)
where:
Base-Base interactions energy: -324.988
where: short stacking energy: -150.860
Base-Backbone interact. energy: -0.188
local terms energy: -186.037058
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -33.563
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: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -222.559862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.559862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.559862 (E_RNA)
where:
Base-Base interactions energy: -102.995
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.983
local terms energy: -118.582712
where:
bonds (distance) C4'-P energy: -33.466
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: 0.651
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: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -949.982683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.982683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.982683 (E_RNA)
where:
Base-Base interactions energy: -654.146
where: short stacking energy: -278.639
Base-Backbone interact. energy: -1.286
local terms energy: -294.551055
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -57.589
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -79.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -942.201740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.201740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.201740 (E_RNA)
where:
Base-Base interactions energy: -658.739
where: short stacking energy: -283.699
Base-Backbone interact. energy: -1.149
local terms energy: -282.313230
where:
bonds (distance) C4'-P energy: -53.657
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -53.434
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: -88.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -936.039972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.039972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.039972 (E_RNA)
where:
Base-Base interactions energy: -658.897
where: short stacking energy: -285.303
Base-Backbone interact. energy: -0.499
local terms energy: -276.643816
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -87.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -903.704914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.704914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.704914 (E_RNA)
where:
Base-Base interactions energy: -622.643
where: short stacking energy: -268.037
Base-Backbone interact. energy: -0.577
local terms energy: -280.485170
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -56.932
flat angles C4'-P-C4' energy: -59.977
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -85.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -807.206476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.206476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.206476 (E_RNA)
where:
Base-Base interactions energy: -541.148
where: short stacking energy: -231.101
Base-Backbone interact. energy: -1.192
local terms energy: -264.866539
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -66.672
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: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -824.093317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.093317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.093317 (E_RNA)
where:
Base-Base interactions energy: -553.765
where: short stacking energy: -239.848
Base-Backbone interact. energy: -0.682
local terms energy: -269.646483
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -52.494
flat angles C4'-P-C4' energy: -55.362
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -77.713
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: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -758.402744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.402744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.402744 (E_RNA)
where:
Base-Base interactions energy: -509.779
where: short stacking energy: -212.592
Base-Backbone interact. energy: 0.596
local terms energy: -249.220481
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -55.190
flat angles P-C4'-P energy: -43.767
tors. eta vs tors. theta energy: -58.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -634.100372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.100372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.100372 (E_RNA)
where:
Base-Base interactions energy: -405.326
where: short stacking energy: -155.423
Base-Backbone interact. energy: -0.995
local terms energy: -227.779062
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -42.140
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -45.167
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: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -489.596714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.596714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.596714 (E_RNA)
where:
Base-Base interactions energy: -316.841
where: short stacking energy: -135.169
Base-Backbone interact. energy: 1.470
local terms energy: -174.226089
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -43.680
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -225.959550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.959550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.959550 (E_RNA)
where:
Base-Base interactions energy: -79.409
where: short stacking energy: -68.744
Base-Backbone interact. energy: -1.913
local terms energy: -144.636968
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: 3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -963.910825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.910825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.910825 (E_RNA)
where:
Base-Base interactions energy: -667.745
where: short stacking energy: -295.822
Base-Backbone interact. energy: 1.135
local terms energy: -297.300600
where:
bonds (distance) C4'-P energy: -46.255
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -59.554
flat angles P-C4'-P energy: -50.127
tors. eta vs tors. theta energy: -92.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -939.257685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.257685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.257685 (E_RNA)
where:
Base-Base interactions energy: -652.442
where: short stacking energy: -280.682
Base-Backbone interact. energy: -0.870
local terms energy: -285.946562
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -86.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -926.615461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.615461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.615461 (E_RNA)
where:
Base-Base interactions energy: -650.632
where: short stacking energy: -266.004
Base-Backbone interact. energy: -0.880
local terms energy: -275.103951
where:
bonds (distance) C4'-P energy: -53.151
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -84.796
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: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -887.397512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.397512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.397512 (E_RNA)
where:
Base-Base interactions energy: -621.264
where: short stacking energy: -264.381
Base-Backbone interact. energy: -0.245
local terms energy: -265.888241
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -51.086
flat angles C4'-P-C4' energy: -50.900
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -76.222
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: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -799.041711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.041711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.041711 (E_RNA)
where:
Base-Base interactions energy: -560.396
where: short stacking energy: -237.313
Base-Backbone interact. energy: -1.287
local terms energy: -237.359404
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -48.285
flat angles C4'-P-C4' energy: -47.466
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -61.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -836.006163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.006163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.006163 (E_RNA)
where:
Base-Base interactions energy: -577.453
where: short stacking energy: -255.849
Base-Backbone interact. energy: -1.173
local terms energy: -257.380049
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -53.344
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -74.678
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: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -734.686553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.686553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.686553 (E_RNA)
where:
Base-Base interactions energy: -508.251
where: short stacking energy: -210.381
Base-Backbone interact. energy: -1.705
local terms energy: -224.731100
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -52.496
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -55.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -620.030099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.030099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.030099 (E_RNA)
where:
Base-Base interactions energy: -416.251
where: short stacking energy: -166.915
Base-Backbone interact. energy: -0.716
local terms energy: -203.062779
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -36.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -459.259404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.259404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.259404 (E_RNA)
where:
Base-Base interactions energy: -276.978
where: short stacking energy: -113.873
Base-Backbone interact. energy: -1.809
local terms energy: -180.472862
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -43.747
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -11.616
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: 495
Temperature: 1.350000
Total energy: -225.528038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.528038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.528038 (E_RNA)
where:
Base-Base interactions energy: -80.144
where: short stacking energy: -55.110
Base-Backbone interact. energy: 0.585
local terms energy: -145.969879
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: 6.394
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: 496
Temperature: 0.900000
Total energy: -980.675731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.675731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.675731 (E_RNA)
where:
Base-Base interactions energy: -677.826
where: short stacking energy: -307.957
Base-Backbone interact. energy: -0.270
local terms energy: -302.579476
where:
bonds (distance) C4'-P energy: -52.428
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -62.880
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -92.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -946.194307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.194307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.194307 (E_RNA)
where:
Base-Base interactions energy: -659.857
where: short stacking energy: -289.593
Base-Backbone interact. energy: 0.132
local terms energy: -286.469108
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -61.974
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -84.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -910.170321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.170321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.170321 (E_RNA)
where:
Base-Base interactions energy: -645.176
where: short stacking energy: -274.980
Base-Backbone interact. energy: -1.041
local terms energy: -263.953530
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -60.959
flat angles P-C4'-P energy: -36.178
tors. eta vs tors. theta energy: -82.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -913.048604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.048604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.048604 (E_RNA)
where:
Base-Base interactions energy: -640.715
where: short stacking energy: -276.259
Base-Backbone interact. energy: 5.518
local terms energy: -277.852157
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -55.012
flat angles P-C4'-P energy: -43.054
tors. eta vs tors. theta energy: -85.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -829.305777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.305777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.305777 (E_RNA)
where:
Base-Base interactions energy: -575.074
where: short stacking energy: -244.961
Base-Backbone interact. energy: -0.849
local terms energy: -253.383385
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -55.854
flat angles C4'-P-C4' energy: -53.691
flat angles P-C4'-P energy: -30.113
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: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -774.082994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.082994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.082994 (E_RNA)
where:
Base-Base interactions energy: -521.397
where: short stacking energy: -233.390
Base-Backbone interact. energy: 0.554
local terms energy: -253.240036
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -47.431
flat angles C4'-P-C4' energy: -46.788
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -69.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -717.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.867757 (E_RNA)
where:
Base-Base interactions energy: -487.974
where: short stacking energy: -194.578
Base-Backbone interact. energy: -0.800
local terms energy: -229.093578
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -57.939
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -57.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -613.008029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.008029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.008029 (E_RNA)
where:
Base-Base interactions energy: -420.237
where: short stacking energy: -180.106
Base-Backbone interact. energy: 0.749
local terms energy: -193.519328
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -35.468
tors. eta vs tors. theta energy: -39.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -455.685338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.685338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.685338 (E_RNA)
where:
Base-Base interactions energy: -277.467
where: short stacking energy: -130.361
Base-Backbone interact. energy: 2.394
local terms energy: -180.612434
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -233.468239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.468239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.468239 (E_RNA)
where:
Base-Base interactions energy: -98.888
where: short stacking energy: -49.349
Base-Backbone interact. energy: 3.053
local terms energy: -137.633581
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -36.952
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: 20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -982.440291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.440291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.440291 (E_RNA)
where:
Base-Base interactions energy: -679.275
where: short stacking energy: -286.082
Base-Backbone interact. energy: -0.306
local terms energy: -302.859759
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -53.595
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -45.158
tors. eta vs tors. theta energy: -87.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -938.513072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.513072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.513072 (E_RNA)
where:
Base-Base interactions energy: -655.498
where: short stacking energy: -288.392
Base-Backbone interact. energy: -0.848
local terms energy: -282.167818
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -84.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -914.883964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.883964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.883964 (E_RNA)
where:
Base-Base interactions energy: -655.934
where: short stacking energy: -282.730
Base-Backbone interact. energy: -0.812
local terms energy: -258.137749
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: -77.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -914.272484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.272484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.272484 (E_RNA)
where:
Base-Base interactions energy: -633.994
where: short stacking energy: -273.534
Base-Backbone interact. energy: -0.248
local terms energy: -280.030047
where:
bonds (distance) C4'-P energy: -46.565
bonds (distance) P-C4' energy: -54.558
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -43.894
tors. eta vs tors. theta energy: -78.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -825.065210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.065210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.065210 (E_RNA)
where:
Base-Base interactions energy: -571.331
where: short stacking energy: -250.579
Base-Backbone interact. energy: 1.092
local terms energy: -254.826716
where:
bonds (distance) C4'-P energy: -41.263
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -48.285
flat angles P-C4'-P energy: -43.738
tors. eta vs tors. theta energy: -74.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -713.334644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.334644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.334644 (E_RNA)
where:
Base-Base interactions energy: -478.154
where: short stacking energy: -195.477
Base-Backbone interact. energy: -0.359
local terms energy: -234.821961
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -54.103
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -31.619
tors. eta vs tors. theta energy: -52.837
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: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -743.717625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.717625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.717625 (E_RNA)
where:
Base-Base interactions energy: -511.047
where: short stacking energy: -204.533
Base-Backbone interact. energy: -1.077
local terms energy: -231.594047
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -44.310
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -66.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -642.419894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.419894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.419894 (E_RNA)
where:
Base-Base interactions energy: -431.552
where: short stacking energy: -185.220
Base-Backbone interact. energy: -1.409
local terms energy: -209.458989
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -49.555
flat angles C4'-P-C4' energy: -48.289
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -42.960
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: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -490.238310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.238310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.238310 (E_RNA)
where:
Base-Base interactions energy: -311.604
where: short stacking energy: -136.976
Base-Backbone interact. energy: 0.709
local terms energy: -179.343266
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -215.477063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.477063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.477063 (E_RNA)
where:
Base-Base interactions energy: -65.368
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.745
local terms energy: -149.363487
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -43.810
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -960.886791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.886791 (E_RNA)
where:
Base-Base interactions energy: -668.768
where: short stacking energy: -284.178
Base-Backbone interact. energy: -0.901
local terms energy: -291.217927
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -83.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -954.764199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.764199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.764199 (E_RNA)
where:
Base-Base interactions energy: -653.378
where: short stacking energy: -284.328
Base-Backbone interact. energy: -0.260
local terms energy: -301.126160
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -57.416
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -45.383
tors. eta vs tors. theta energy: -86.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -912.620571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.620571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.620571 (E_RNA)
where:
Base-Base interactions energy: -644.919
where: short stacking energy: -282.715
Base-Backbone interact. energy: 0.249
local terms energy: -267.950722
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -55.065
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -81.846
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: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -897.653217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.653217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.653217 (E_RNA)
where:
Base-Base interactions energy: -616.973
where: short stacking energy: -281.242
Base-Backbone interact. energy: -0.528
local terms energy: -280.152176
where:
bonds (distance) C4'-P energy: -54.322
bonds (distance) P-C4' energy: -41.571
flat angles C4'-P-C4' energy: -58.245
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -848.408573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.408573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.408573 (E_RNA)
where:
Base-Base interactions energy: -577.603
where: short stacking energy: -257.967
Base-Backbone interact. energy: -0.795
local terms energy: -270.010756
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -75.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -760.303260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.303260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.303260 (E_RNA)
where:
Base-Base interactions energy: -507.564
where: short stacking energy: -222.918
Base-Backbone interact. energy: 0.137
local terms energy: -252.876683
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -58.149
flat angles C4'-P-C4' energy: -56.677
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -62.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -750.724798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.724798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.724798 (E_RNA)
where:
Base-Base interactions energy: -527.487
where: short stacking energy: -235.649
Base-Backbone interact. energy: 0.575
local terms energy: -223.812341
where:
bonds (distance) C4'-P energy: -41.700
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -43.124
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -63.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -635.790255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.790255 (E_RNA)
where:
Base-Base interactions energy: -416.525
where: short stacking energy: -178.257
Base-Backbone interact. energy: -2.705
local terms energy: -216.560387
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -46.972
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -468.808472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.808472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.808472 (E_RNA)
where:
Base-Base interactions energy: -292.903
where: short stacking energy: -131.264
Base-Backbone interact. energy: -0.366
local terms energy: -175.539179
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -39.605
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -22.240
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: 498
Temperature: 1.350000
Total energy: -229.178001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.178001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.178001 (E_RNA)
where:
Base-Base interactions energy: -96.400
where: short stacking energy: -52.475
Base-Backbone interact. energy: 1.545
local terms energy: -134.323345
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -30.750
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: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -966.419362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.419362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.419362 (E_RNA)
where:
Base-Base interactions energy: -663.460
where: short stacking energy: -282.244
Base-Backbone interact. energy: -1.316
local terms energy: -301.643615
where:
bonds (distance) C4'-P energy: -57.216
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -63.327
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -87.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -957.732994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.732994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.732994 (E_RNA)
where:
Base-Base interactions energy: -672.988
where: short stacking energy: -292.191
Base-Backbone interact. energy: 0.057
local terms energy: -284.801407
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -81.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -927.507039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.507039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.507039 (E_RNA)
where:
Base-Base interactions energy: -643.777
where: short stacking energy: -272.899
Base-Backbone interact. energy: -0.425
local terms energy: -283.305225
where:
bonds (distance) C4'-P energy: -50.231
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -80.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -884.488138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.488138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.488138 (E_RNA)
where:
Base-Base interactions energy: -623.879
where: short stacking energy: -273.082
Base-Backbone interact. energy: -0.156
local terms energy: -260.453122
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -49.761
flat angles C4'-P-C4' energy: -52.215
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -76.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -828.734480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.734480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.734480 (E_RNA)
where:
Base-Base interactions energy: -559.189
where: short stacking energy: -241.624
Base-Backbone interact. energy: -0.375
local terms energy: -269.169810
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -49.864
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -69.953
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: 499
Temperature: 1.150000
Total energy: -785.019847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.019847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.019847 (E_RNA)
where:
Base-Base interactions energy: -527.500
where: short stacking energy: -230.451
Base-Backbone interact. energy: 1.447
local terms energy: -258.966687
where:
bonds (distance) C4'-P energy: -49.386
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -75.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -707.390901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.390901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.390901 (E_RNA)
where:
Base-Base interactions energy: -495.058
where: short stacking energy: -216.470
Base-Backbone interact. energy: -0.929
local terms energy: -211.403880
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -55.321
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -49.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -628.308157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.308157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.308157 (E_RNA)
where:
Base-Base interactions energy: -427.363
where: short stacking energy: -167.084
Base-Backbone interact. energy: -1.728
local terms energy: -199.217460
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -30.496
tors. eta vs tors. theta energy: -40.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -488.961924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.961924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.961924 (E_RNA)
where:
Base-Base interactions energy: -294.256
where: short stacking energy: -125.751
Base-Backbone interact. energy: -0.719
local terms energy: -193.986804
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -50.124
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -30.766
tors. eta vs tors. theta energy: -21.112
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: 499
Temperature: 1.350000
Total energy: -247.858175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.858175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.858175 (E_RNA)
where:
Base-Base interactions energy: -104.729
where: short stacking energy: -55.667
Base-Backbone interact. energy: 1.193
local terms energy: -144.322056
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -972.154625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.154625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.154625 (E_RNA)
where:
Base-Base interactions energy: -675.685
where: short stacking energy: -292.104
Base-Backbone interact. energy: 1.206
local terms energy: -297.676379
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -53.792
flat angles C4'-P-C4' energy: -53.366
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -88.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -945.123846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.123846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.123846 (E_RNA)
where:
Base-Base interactions energy: -662.395
where: short stacking energy: -290.236
Base-Backbone interact. energy: 0.597
local terms energy: -283.325700
where:
bonds (distance) C4'-P energy: -43.628
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -86.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -934.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.266447 (E_RNA)
where:
Base-Base interactions energy: -660.454
where: short stacking energy: -290.552
Base-Backbone interact. energy: 0.086
local terms energy: -273.898470
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -48.533
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -83.271
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: 500
Temperature: 1.050000
Total energy: -875.453468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.453468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.453468 (E_RNA)
where:
Base-Base interactions energy: -597.955
where: short stacking energy: -267.227
Base-Backbone interact. energy: 5.051
local terms energy: -282.548882
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -76.896
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: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -827.559450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.559450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.559450 (E_RNA)
where:
Base-Base interactions energy: -570.707
where: short stacking energy: -239.719
Base-Backbone interact. energy: -1.689
local terms energy: -255.164080
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -76.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -774.297383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.297383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.297383 (E_RNA)
where:
Base-Base interactions energy: -529.734
where: short stacking energy: -233.217
Base-Backbone interact. energy: 2.662
local terms energy: -247.225834
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -48.090
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -59.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -760.044973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.044973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.044973 (E_RNA)
where:
Base-Base interactions energy: -527.481
where: short stacking energy: -217.363
Base-Backbone interact. energy: -0.607
local terms energy: -231.956016
where:
bonds (distance) C4'-P energy: -47.755
bonds (distance) P-C4' energy: -44.086
flat angles C4'-P-C4' energy: -42.074
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -60.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -698.193049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.193049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.193049 (E_RNA)
where:
Base-Base interactions energy: -470.191
where: short stacking energy: -205.099
Base-Backbone interact. energy: -0.448
local terms energy: -227.553941
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -44.416
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -54.162
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: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -446.879253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.879253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.879253 (E_RNA)
where:
Base-Base interactions energy: -284.951
where: short stacking energy: -123.601
Base-Backbone interact. energy: 1.123
local terms energy: -163.051532
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -36.226
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -22.897
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: 500
Temperature: 1.350000
Total energy: -321.980022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.980022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.980022 (E_RNA)
where:
Base-Base interactions energy: -151.279
where: short stacking energy: -91.209
Base-Backbone interact. energy: -0.454
local terms energy: -170.246669
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -52.322
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -962.296583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.296583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.296583 (E_RNA)
where:
Base-Base interactions energy: -671.129
where: short stacking energy: -291.410
Base-Backbone interact. energy: -0.234
local terms energy: -290.933010
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -61.836
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -85.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -957.823075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.823075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.823075 (E_RNA)
where:
Base-Base interactions energy: -669.494
where: short stacking energy: -287.848
Base-Backbone interact. energy: -1.319
local terms energy: -287.009835
where:
bonds (distance) C4'-P energy: -52.041
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -81.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -920.848073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.848073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.848073 (E_RNA)
where:
Base-Base interactions energy: -631.134
where: short stacking energy: -268.947
Base-Backbone interact. energy: -0.526
local terms energy: -289.187645
where:
bonds (distance) C4'-P energy: -43.380
bonds (distance) P-C4' energy: -51.881
flat angles C4'-P-C4' energy: -58.709
flat angles P-C4'-P energy: -47.957
tors. eta vs tors. theta energy: -87.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -876.623608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.623608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.623608 (E_RNA)
where:
Base-Base interactions energy: -583.851
where: short stacking energy: -267.963
Base-Backbone interact. energy: -0.699
local terms energy: -292.073639
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -80.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -842.829172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.829172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.829172 (E_RNA)
where:
Base-Base interactions energy: -595.581
where: short stacking energy: -253.001
Base-Backbone interact. energy: 0.560
local terms energy: -247.807942
where:
bonds (distance) C4'-P energy: -54.399
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -66.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -760.832859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.832859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.832859 (E_RNA)
where:
Base-Base interactions energy: -513.417
where: short stacking energy: -220.570
Base-Backbone interact. energy: -1.115
local terms energy: -246.300775
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -58.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -765.631284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.631284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.631284 (E_RNA)
where:
Base-Base interactions energy: -516.691
where: short stacking energy: -227.497
Base-Backbone interact. energy: 0.131
local terms energy: -249.071177
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -48.137
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -61.792
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: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -691.249241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.249241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.249241 (E_RNA)
where:
Base-Base interactions energy: -464.105
where: short stacking energy: -197.102
Base-Backbone interact. energy: -2.294
local terms energy: -224.850257
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -47.850
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -54.972
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: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -417.322316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.322316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.322316 (E_RNA)
where:
Base-Base interactions energy: -241.312
where: short stacking energy: -114.965
Base-Backbone interact. energy: -1.790
local terms energy: -174.220915
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -50.075
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -311.050545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.050545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.050545 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -83.892
Base-Backbone interact. energy: 0.411
local terms energy: -155.718968
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -12.101
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 35256236
moves confirmed later: 37429348
all moves confirmed: 72685584
percent of confirmed moves: 9.085698
current total energy: -893.355065
recalc. total energy: -893.355065
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 34666006
moves confirmed later: 36586058
all moves confirmed: 71252064
percent of confirmed moves: 8.906508
current total energy: -892.020872
recalc. total energy: -892.020872
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 45874821
moves confirmed later: 51568854
all moves confirmed: 97443675
percent of confirmed moves: 12.180459
current total energy: -861.143940
recalc. total energy: -861.143940
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 67096060
moves confirmed later: 79188818
all moves confirmed: 146284878
percent of confirmed moves: 18.285610
current total energy: -789.018833
recalc. total energy: -789.018833
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 40145998
moves confirmed later: 44001874
all moves confirmed: 84147872
percent of confirmed moves: 10.518484
current total energy: -755.621021
recalc. total energy: -755.621021
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 45050052
moves confirmed later: 50559860
all moves confirmed: 95609912
percent of confirmed moves: 11.951239
current total energy: -628.102202
recalc. total energy: -628.102202
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 47300339
moves confirmed later: 53607824
all moves confirmed: 100908163
percent of confirmed moves: 12.613520
current total energy: -738.047277
recalc. total energy: -738.047277
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 44391039
moves confirmed later: 49522389
all moves confirmed: 93913428
percent of confirmed moves: 11.739178
current total energy: -527.512144
recalc. total energy: -527.512144
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 56656858
moves confirmed later: 65755816
all moves confirmed: 122412674
percent of confirmed moves: 15.301584
current total energy: -279.111038
recalc. total energy: -279.111038
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 98365303
moves confirmed later: 119489011
all moves confirmed: 217854314
percent of confirmed moves: 27.231789
current total energy: -214.216768
recalc. total energy: -214.216768
out arg RESULTS//1/Denv3_dominio3_Simrn-576bfeb8_01
Time of doing 8000000 iterations: 20245.832 seconds